Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 13Links: 26
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67373
- Core Entity Id
- 130022
- Source Entity Count
- 1
- Preferred Name
- 2-Amino-4-methylpentanoic acid
- Name En
- Pubchem Id
- 857
- Smiles Canonical
- CC(C)CC(C(=O)O)N
- Molecular Formula
- C6H13NO2
- Molecular Weight
- 131.0900
- Inchikey
- ROHFNLRQFUQHCH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -1.5000
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 63.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Amino-4-methylpentanoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2-Amino-4-methylpentanoic acid
Itcmdb Generated
ITX-INGREDIENT-2DEAE8E0BCA2
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
131.090
Molecular Formula
C6H13NO2
Fda Maximum Daily Dose (Fdamdd)
0.010
Quantitative Estimate Of Drug Likeness（Qed）
0.584