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

C14H19NO3 — CID 119238309

IUPAC(2S)-2-(3-phenylpentanoylamino)propanoic acid
SMILESCCC(CC(=O)N[C@@H](C)C(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-3-11(12-7-5-4-6-8-12)9-13(16)15-10(2)14(17)18/h4-8,10-11H,3,9H2,1-2H3,(H,15,16)(H,17,18)/t10-,11?/m0/s1
InChIKeyFMKPGEVNGMXDPS-VUWPPUDQSA-N
MW249.31 g/mol
LogP2.16
Rot. Bonds6

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

(2S)-2-(3-phenylpentanoylamino)propanoic acid (PubChem CID 119238309) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2S)-2-(3-phenylpentanoylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(3-phenylpentanoylamino)propanoic acid
PubChem CID119238309
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(2S)-2-(3-phenylpentanoylamino)propanoic acid
SMILESCCC(CC(=O)N[C@@H](C)C(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-3-11(12-7-5-4-6-8-12)9-13(16)15-10(2)14(17)18/h4-8,10-11H,3,9H2,1-2H3,(H,15,16)(H,17,18)/t10-,11?/m0/s1
InChIKeyFMKPGEVNGMXDPS-VUWPPUDQSA-N
XLogP2.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(4-methylphenyl)pentanoylamino]propanoic acid
CID 119225866
(2R)-2-phenyl-2-(3-phenylpentanoylamino)acetic acid
CID 119368014
(2S)-4-methyl-2-(3-phenylpentanoylamino)pentanoic acid
CID 119362028
2-methyl-3-(3-phenylpentanoylamino)propanoic acid
CID 119237250
ethane;3-phenylpentanoic acid
CID 142147200
(3S)-3-phenylpentanoyl chloride
CID 42074098
N-(1-aminohexan-2-yl)-3-phenylpentanamide;hydrochloride
CID 119668250
N-(2-hydroxy-2,3-dimethylbutyl)-3-phenylpentanamide
CID 111484060
N-(2-ethyl-2-hydroxybutyl)-3-phenylpentanamide
CID 111483351
(2S)-2-(1-phenylpropylamino)propanoic acid
CID 90916236
(3R)-1,3-diphenylpentan-1-one
CID 11042799
(2R,4R)-2-methyl-4-phenylhexanoic acid
CID 134848322

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-phenylpentanoylamino)propanoic acid?
The IUPAC name of (2S)-2-(3-phenylpentanoylamino)propanoic acid (CID 119238309) is (2S)-2-(3-phenylpentanoylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(3-phenylpentanoylamino)propanoic acid?
The canonical SMILES for (2S)-2-(3-phenylpentanoylamino)propanoic acid is CCC(CC(=O)N[C@@H](C)C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-(3-phenylpentanoylamino)propanoic acid?
The InChIKey is FMKPGEVNGMXDPS-VUWPPUDQSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-11(12-7-5-4-6-8-12)9-13(16)15-10(2)14(17)18/h4-8,10-11H,3,9H2,1-2H3,(H,15,16)(H,17,18)/t10-,11?/m0/s1.
What are the key properties of (2S)-2-(3-phenylpentanoylamino)propanoic acid?
(2S)-2-(3-phenylpentanoylamino)propanoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-phenylpentanoylamino)propanoic acid is sourced from PubChem (CID 119238309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).