Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2471
- Core Entity Id
- 5933
- Source Entity Count
- 1
- Preferred Name
- 2-pyrrolidinecarboxylic acid-5-oxo-,ethyl ester
- Name En
- Pubchem Id
- 98047
- Smiles Canonical
- CCOC(=O)C1CCC(=O)N1
- Molecular Formula
- C7H11NO3
- Molecular Weight
- 157.1690
- Inchikey
- QYJOOVQLTTVTJY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C7H11NO3/c1-2-11-7(10)5-3-4-6(9)8-5/h5H,2-4H2,1H3,(H,8,9)
- Isomeric Smiles
- CCOC(=O)C1CCC(=O)N1
- Cas Id
- Ob Score
- Mol Logp
- -0.1719
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5660
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-pyrrolidinecarboxylic acid-5-oxo-,ethyl ester
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-pyrrolidinecarboxylic acid-5-oxo-,ethyl ester
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5-ETHYLCARBOXYL-2-PYRROLIDINONE
Role
alias
Source
HERB_v2
Preferred
No
Name
5-ETHYLCARBOXYL-2-PYRROLIDINONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
66183-71-9
Role
alias
Source
HERB_v2
Preferred
No
Name
66183-71-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
ETHYL PCA
Role
alias
Source
HERB_v2
Preferred
No
Name
ETHYL PCA
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethyl 5-oxo-DL-prolinate
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethyl 5-oxo-DL-prolinate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethyl D-(-)-pyroglutamate
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethyl D-(-)-pyroglutamate
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00062673
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00062673
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-72279
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-72279
Role
alias
Source
itcmdb_public
Preferred
No
Name
ethyl 5-oxoprolinate
Role
alias
Source
HERB_v2
Preferred
No
Name
ethyl 5-oxoprolinate
Role
alias
Source
itcmdb_public
Preferred
No
Name
ethyl 5-oxopyrrolidine-2-carboxylate
Role
alias
Source
HERB_v2
Preferred
No
Name
ethyl 5-oxopyrrolidine-2-carboxylate
Role
alias
Source
itcmdb_public
Preferred
No
Name
ethyl dl-pyroglutamate
Role
alias
Source
itcmdb_public
Preferred
No
Name
ethyl dl-pyroglutamate
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
5-ETHYLCARBOXYL-2-PYRROLIDINONE66183-71-9ETHYL PCAEthyl 5-oxo-DL-prolinateEthyl D-(-)-pyroglutamateMFCD00062673NSC-72279ethyl 5-oxoprolinateethyl 5-oxopyrrolidine-2-carboxylateethyl dl-pyroglutamate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006353
Npass
NPC201859
Tcmid
40687
Pub Chem
98047
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C7H11NO3/c1-2-11-7(10)5-3-4-6(9)8-5/h5H,2-4H2,1H3,(H,8,9)
Mol Wt
157.169
Mol Log P
-0.1719000000000001
In Ch Ikey
QYJOOVQLTTVTJY-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.566
Num Hacceptors
3
Isomeric Smiles
CCOC(=O)C1CCC(=O)N1
Canonical Smiles
CCOC(=O)C1CCC(=O)N1
Herb Alias Names
66183-71-9Ethyl 5-oxo-DL-prolinateethyl 5-oxopyrrolidine-2-carboxylateethyl dl-pyroglutamateethyl 5-oxoprolinate5-ETHYLCARBOXYL-2-PYRROLIDINONEEthyl D-(-)-pyroglutamateMFCD00062673ETHYL PCANSC-72279
Molecular Formula
C7H11NO3
Num Rotatable Bonds
2