(2S)-2-benzamido-4-phenylbutanoic acid

C17H17NO3 — CID 22824842

IUPAC(2S)-2-benzamido-4-phenylbutanoic acid
SMILESO=C(N[C@@H](CCc1ccccc1)C(=O)O)c1ccccc1
InChIInChI=1S/C17H17NO3/c19-16(14-9-5-2-6-10-14)18-15(17(20)21)12-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,18,19)(H,20,21)/t15-/m0/s1
InChIKeyKYQLWMGRTKMDAA-HNNXBMFYSA-N
MW283.33 g/mol
LogP2.50
Rot. Bonds6

About (2S)-2-benzamido-4-phenylbutanoic acid

(2S)-2-benzamido-4-phenylbutanoic acid (PubChem CID 22824842) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (2S)-2-benzamido-4-phenylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-benzamido-4-phenylbutanoic acid
PubChem CID22824842
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(2S)-2-benzamido-4-phenylbutanoic acid
SMILESO=C(N[C@@H](CCc1ccccc1)C(=O)O)c1ccccc1
InChIInChI=1S/C17H17NO3/c19-16(14-9-5-2-6-10-14)18-15(17(20)21)12-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,18,19)(H,20,21)/t15-/m0/s1
InChIKeyKYQLWMGRTKMDAA-HNNXBMFYSA-N
XLogP2.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-2-(thiophene-3-carbonylamino)butanoic acid
CID 114916656
2-[(5-bromothiophene-3-carbonyl)amino]-4-phenylbutanoic acid
CID 114916690
(2S)-2-benzamido-3-[4-(2-carboxyethyl)phenyl]propanoic acid
CID 70138871
(2S)-2-[(5-chlorofuran-2-carbonyl)amino]-4-phenylbutanoic acid
CID 104983176
(2R)-3-[[(2R)-2-benzamido-2-carboxyethyl]disulfanyl]-2-(3-phenylpropanoylamino)propanoic acid
CID 15850967
N-[(2S)-1-[cyano(methyl)amino]-1-oxo-4-phenylbutan-2-yl]benzamide
CID 87849968
(2S)-2-(2,2-dimethylpropanoylamino)-4-phenylbutanoic acid
CID 104983118
(2S)-2-benzamido-3-bromopropanoic acid
CID 134897553
(2S)-3-phenyl-2-[[3-(2-phenylethyl)benzoyl]amino]propanoic acid
CID 101236602
(2S)-2-[[3-amino-5-[2-(4-hydroxyphenyl)ethyl]benzoyl]amino]-4-phenylbutanoic acid
CID 90371442
(2S)-2-[(5-bromothiophene-2-carbonyl)amino]-4-phenylbutanoic acid
CID 104983214
(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid
CID 2282515

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzamido-4-phenylbutanoic acid?
The IUPAC name of (2S)-2-benzamido-4-phenylbutanoic acid (CID 22824842) is (2S)-2-benzamido-4-phenylbutanoic acid.
What is the SMILES notation for (2S)-2-benzamido-4-phenylbutanoic acid?
The canonical SMILES for (2S)-2-benzamido-4-phenylbutanoic acid is O=C(N[C@@H](CCc1ccccc1)C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-benzamido-4-phenylbutanoic acid?
The InChIKey is KYQLWMGRTKMDAA-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-16(14-9-5-2-6-10-14)18-15(17(20)21)12-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,18,19)(H,20,21)/t15-/m0/s1.
What are the key properties of (2S)-2-benzamido-4-phenylbutanoic acid?
(2S)-2-benzamido-4-phenylbutanoic acid has a molecular weight of 283.33 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzamido-4-phenylbutanoic acid is sourced from PubChem (CID 22824842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).