2-(hexanoylamino)-2-phenylpropanoic acid

C15H21NO3 — CID 62487129

IUPAC2-(hexanoylamino)-2-phenylpropanoic acid
SMILESCCCCCC(=O)NC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-3-4-6-11-13(17)16-15(2,14(18)19)12-9-7-5-8-10-12/h5,7-10H,3-4,6,11H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyIFUXVSXDDMCCEQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.68
Rot. Bonds7

About 2-(hexanoylamino)-2-phenylpropanoic acid

2-(hexanoylamino)-2-phenylpropanoic acid (PubChem CID 62487129) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(hexanoylamino)-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-(hexanoylamino)-2-phenylpropanoic acid
PubChem CID62487129
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(hexanoylamino)-2-phenylpropanoic acid
SMILESCCCCCC(=O)NC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-3-4-6-11-13(17)16-15(2,14(18)19)12-9-7-5-8-10-12/h5,7-10H,3-4,6,11H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyIFUXVSXDDMCCEQ-UHFFFAOYSA-N
XLogP2.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(hexanoylamino)-2-phenylpropanoic 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

2-[(2-pentoxyacetyl)amino]-2-phenylpropanoic acid
CID 66656181
N-(1,2-diphenylpropan-2-yl)hexanamide
CID 139775131
2-phenyl-2-(3-propoxypropanoylamino)propanoic acid
CID 62717159
2-(pent-4-enoylamino)-2-phenylpropanoic acid
CID 62679681
N-(1-bromo-2-phenylpropan-2-yl)octanamide
CID 105059946
N-(1-amino-2-phenylpropan-2-yl)heptanamide
CID 105060397
N-tritylpentanamide
CID 71163215
(Z)-N-(2-phenylpropan-2-yl)octadec-9-enamide
CID 174358193
3-(hexanoylamino)-2-methyl-2-phenylpropanoic acid
CID 120700832
2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid
CID 55078720
N-(2-phenylpropan-2-yl)octadec-9-enamide;hydrochloride
CID 173172473
2-phenyl-2-(3,3,3-trifluoropropanoylamino)propanoic acid
CID 55078201

Frequently Asked Questions

What is the IUPAC name of 2-(hexanoylamino)-2-phenylpropanoic acid?
The IUPAC name of 2-(hexanoylamino)-2-phenylpropanoic acid (CID 62487129) is 2-(hexanoylamino)-2-phenylpropanoic acid.
What is the SMILES notation for 2-(hexanoylamino)-2-phenylpropanoic acid?
The canonical SMILES for 2-(hexanoylamino)-2-phenylpropanoic acid is CCCCCC(=O)NC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(hexanoylamino)-2-phenylpropanoic acid?
The InChIKey is IFUXVSXDDMCCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-4-6-11-13(17)16-15(2,14(18)19)12-9-7-5-8-10-12/h5,7-10H,3-4,6,11H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-(hexanoylamino)-2-phenylpropanoic acid?
2-(hexanoylamino)-2-phenylpropanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexanoylamino)-2-phenylpropanoic acid is sourced from PubChem (CID 62487129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).