(2S)-2-amino-3-oxo-5-phenyl-2-propan-2-ylpentanoic acid

C14H19NO3 — CID 150545775

IUPAC(2S)-2-amino-3-oxo-5-phenyl-2-propan-2-ylpentanoic acid
SMILESCC(C)[C@@](N)(C(=O)O)C(=O)CCc1ccccc1
InChIInChI=1S/C14H19NO3/c1-10(2)14(15,13(17)18)12(16)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9,15H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyIGVKEWDRPGFZAB-AWEZNQCLSA-N
MW249.31 g/mol
LogP1.63
Rot. Bonds6

About (2S)-2-amino-3-oxo-5-phenyl-2-propan-2-ylpentanoic acid

(2S)-2-amino-3-oxo-5-phenyl-2-propan-2-ylpentanoic acid (PubChem CID 150545775) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2S)-2-amino-3-oxo-5-phenyl-2-propan-2-ylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-oxo-5-phenyl-2-propan-2-ylpentanoic acid
PubChem CID150545775
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(2S)-2-amino-3-oxo-5-phenyl-2-propan-2-ylpentanoic acid
SMILESCC(C)[C@@](N)(C(=O)O)C(=O)CCc1ccccc1
InChIInChI=1S/C14H19NO3/c1-10(2)14(15,13(17)18)12(16)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9,15H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyIGVKEWDRPGFZAB-AWEZNQCLSA-N
XLogP1.63
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1,1,1,4-tetraphenylbutan-2-one
CID 140502086
2-amino-2-(1-aminoethyl)-3-oxo-4-(2-phenylethylamino)butanoic acid
CID 23299305
ethyl 2,2-difluoro-3-oxo-5-phenylpentanoate
CID 11436773
2-(aminomethyl)-3-methyl-2-(2-phenylethyl)butanoic acid
CID 106488584
4-bromo-1-phenylpentan-3-one
CID 121216753
4,4-dimethyl-7-phenylheptane-2,5-dione
CID 166439938
(4R)-4-amino-5-methyl-1-phenylhexan-3-one;hydrochloride
CID 54757376
2,2-bis(3-phenylpropanoyl)hexanoic acid
CID 67277107
2-amino-2-(heptan-4-ylsulfonylmethyl)-3-oxo-5-phenylpentanamide
CID 87710902
3-ethyl-4-methyl-1-phenylpentan-3-amine
CID 60922905
azane;2,2-bis(3-phenylpropanoyl)hexanoic acid
CID 67277106
ethyl 2-(3-phenylpropanoyloxy)propanoate
CID 13096485

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-oxo-5-phenyl-2-propan-2-ylpentanoic acid?
The IUPAC name of (2S)-2-amino-3-oxo-5-phenyl-2-propan-2-ylpentanoic acid (CID 150545775) is (2S)-2-amino-3-oxo-5-phenyl-2-propan-2-ylpentanoic acid.
What is the SMILES notation for (2S)-2-amino-3-oxo-5-phenyl-2-propan-2-ylpentanoic acid?
The canonical SMILES for (2S)-2-amino-3-oxo-5-phenyl-2-propan-2-ylpentanoic acid is CC(C)[C@@](N)(C(=O)O)C(=O)CCc1ccccc1.
What is the InChIKey of (2S)-2-amino-3-oxo-5-phenyl-2-propan-2-ylpentanoic acid?
The InChIKey is IGVKEWDRPGFZAB-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(2)14(15,13(17)18)12(16)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9,15H2,1-2H3,(H,17,18)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-3-oxo-5-phenyl-2-propan-2-ylpentanoic acid?
(2S)-2-amino-3-oxo-5-phenyl-2-propan-2-ylpentanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-oxo-5-phenyl-2-propan-2-ylpentanoic acid is sourced from PubChem (CID 150545775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).