2-amino-7-phenylheptanoic acid

C13H19NO2 — CID 85132413

IUPAC2-amino-7-phenylheptanoic acid
SMILESNC(CCCCCc1ccccc1)C(=O)O
InChIInChI=1S/C13H19NO2/c14-12(13(15)16)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10,14H2,(H,15,16)
InChIKeyXXWNWKHODOSRHI-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.20
Rot. Bonds7

About 2-amino-7-phenylheptanoic acid

2-amino-7-phenylheptanoic acid (PubChem CID 85132413) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-7-phenylheptanoic acid.

Molecular Properties

Compound Name2-amino-7-phenylheptanoic acid
PubChem CID85132413
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-amino-7-phenylheptanoic acid
SMILESNC(CCCCCc1ccccc1)C(=O)O
InChIInChI=1S/C13H19NO2/c14-12(13(15)16)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10,14H2,(H,15,16)
InChIKeyXXWNWKHODOSRHI-UHFFFAOYSA-N
XLogP2.20
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-amino-7-phenylheptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-7-(4-methylphenyl)heptanoic acid
CID 155670069
(2S)-2-amino-4-phenylbutanoic acid;bohrium
CID 59366799
2-(8-phenyloctyl)propanedioic acid
CID 20544236
methyl 2-amino-6-phenylhexanoate
CID 76830671
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-4-phenylbutanoic acid
CID 138596629
2,6-diaminohexanoic acid;3-phenylpropanamide
CID 174839218
(2S)-2-amino-4-oxo-4-(5-phenylpentoxy)butanoic acid
CID 101180760
(2S)-2-amino-5-phenylpentanethioic S-acid
CID 57090129
2-amino-3-(4-phenylbutylsulfanyl)propanoic acid
CID 114333733
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2,6-diaminohexanoic acid
CID 157149323
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
2-amino-5-(4-fluorophenyl)pentanoic acid
CID 83639572

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-phenylheptanoic acid?
The IUPAC name of 2-amino-7-phenylheptanoic acid (CID 85132413) is 2-amino-7-phenylheptanoic acid.
What is the SMILES notation for 2-amino-7-phenylheptanoic acid?
The canonical SMILES for 2-amino-7-phenylheptanoic acid is NC(CCCCCc1ccccc1)C(=O)O.
What is the InChIKey of 2-amino-7-phenylheptanoic acid?
The InChIKey is XXWNWKHODOSRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c14-12(13(15)16)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10,14H2,(H,15,16).
What are the key properties of 2-amino-7-phenylheptanoic acid?
2-amino-7-phenylheptanoic acid has a molecular weight of 221.30 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-phenylheptanoic acid is sourced from PubChem (CID 85132413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).