2-methyl-3-(3-phenylpentanoylamino)propanoic acid

C15H21NO3 — CID 119237250

IUPAC2-methyl-3-(3-phenylpentanoylamino)propanoic acid
SMILESCCC(CC(=O)NCC(C)C(=O)O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-3-12(13-7-5-4-6-8-13)9-14(17)16-10-11(2)15(18)19/h4-8,11-12H,3,9-10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyAUFCIILOBPYHBS-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.41
Rot. Bonds7

About 2-methyl-3-(3-phenylpentanoylamino)propanoic acid

2-methyl-3-(3-phenylpentanoylamino)propanoic acid (PubChem CID 119237250) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-methyl-3-(3-phenylpentanoylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(3-phenylpentanoylamino)propanoic acid
PubChem CID119237250
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-methyl-3-(3-phenylpentanoylamino)propanoic acid
SMILESCCC(CC(=O)NCC(C)C(=O)O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-3-12(13-7-5-4-6-8-13)9-14(17)16-10-11(2)15(18)19/h4-8,11-12H,3,9-10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyAUFCIILOBPYHBS-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-(3-phenylpentanoylamino)propanoic 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-methyl-3-[(4-methyl-3-phenylpentanoyl)amino]propanoic acid
CID 75513474
(2S)-2-(3-phenylpentanoylamino)propanoic acid
CID 119238309
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylpentanamide
CID 111451449
(2S)-4-methyl-2-(3-phenylpentanoylamino)pentanoic acid
CID 119362028
3-amino-3-phenyl-N-(2-phenylbutyl)propanamide
CID 119949049
N-(2-hydroxy-2,3-dimethylbutyl)-3-phenylpentanamide
CID 111484060
(2R,4R)-2-methyl-4-phenylhexanoic acid
CID 134848322
(2R)-2-phenyl-2-(3-phenylpentanoylamino)acetic acid
CID 119368014
N-(2-ethyl-2-hydroxybutyl)-3-phenylpentanamide
CID 111483351
N-(2-amino-2-ethylbutyl)-3-phenylpentanamide;hydrochloride
CID 119643360
ethane;3-phenylpentanoic acid
CID 142147200
(3S)-3-phenylpentanoyl chloride
CID 42074098

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-phenylpentanoylamino)propanoic acid?
The IUPAC name of 2-methyl-3-(3-phenylpentanoylamino)propanoic acid (CID 119237250) is 2-methyl-3-(3-phenylpentanoylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-(3-phenylpentanoylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-(3-phenylpentanoylamino)propanoic acid is CCC(CC(=O)NCC(C)C(=O)O)c1ccccc1.
What is the InChIKey of 2-methyl-3-(3-phenylpentanoylamino)propanoic acid?
The InChIKey is AUFCIILOBPYHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-12(13-7-5-4-6-8-13)9-14(17)16-10-11(2)15(18)19/h4-8,11-12H,3,9-10H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-methyl-3-(3-phenylpentanoylamino)propanoic acid?
2-methyl-3-(3-phenylpentanoylamino)propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-phenylpentanoylamino)propanoic acid is sourced from PubChem (CID 119237250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).