(2S)-3-phenyl-2-[[3-(2-phenylethyl)benzoyl]amino]propanoic acid

C24H23NO3 — CID 101236602

IUPAC(2S)-3-phenyl-2-[[3-(2-phenylethyl)benzoyl]amino]propanoic acid
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cccc(CCc2ccccc2)c1
InChIInChI=1S/C24H23NO3/c26-23(25-22(24(27)28)17-19-10-5-2-6-11-19)21-13-7-12-20(16-21)15-14-18-8-3-1-4-9-18/h1-13,16,22H,14-15,17H2,(H,25,26)(H,27,28)/t22-/m0/s1
InChIKeyNTLCPRVTMUZTTQ-QFIPXVFZSA-N
MW373.45 g/mol
LogP3.90
Rot. Bonds8

About (2S)-3-phenyl-2-[[3-(2-phenylethyl)benzoyl]amino]propanoic acid

(2S)-3-phenyl-2-[[3-(2-phenylethyl)benzoyl]amino]propanoic acid (PubChem CID 101236602) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is (2S)-3-phenyl-2-[[3-(2-phenylethyl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-phenyl-2-[[3-(2-phenylethyl)benzoyl]amino]propanoic acid
PubChem CID101236602
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name(2S)-3-phenyl-2-[[3-(2-phenylethyl)benzoyl]amino]propanoic acid
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cccc(CCc2ccccc2)c1
InChIInChI=1S/C24H23NO3/c26-23(25-22(24(27)28)17-19-10-5-2-6-11-19)21-13-7-12-20(16-21)15-14-18-8-3-1-4-9-18/h1-13,16,22H,14-15,17H2,(H,25,26)(H,27,28)/t22-/m0/s1
InChIKeyNTLCPRVTMUZTTQ-QFIPXVFZSA-N
XLogP3.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 9437907
(2S)-2-benzamido-3-[4-(2-carboxyethyl)phenyl]propanoic acid
CID 70138871
(2R)-2-benzamido-3-(3-fluorophenyl)propanoic acid
CID 15679298
(2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
CID 784806
(2S)-2-[[3-(4-ethylphenyl)benzoyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 58717530
3-phenyl-2-[(3-propoxybenzoyl)amino]propanoic acid
CID 119165643
(2S)-2-benzamido-4-phenylbutanoic acid
CID 22824842
2-benzamido-3-phenylpropanoic acid;2-fluoroacetaldehyde
CID 131965188
2-benzamido-3-pyridin-4-ylpropanoic acid
CID 19602413
(2S)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]-3-phenylpropanoic acid
CID 45339810
(2R)-2-[[4-[(E)-2-[4-[[(1S)-1-carboxy-2-phenylethyl]carbamoyl]phenyl]ethenyl]benzoyl]amino]-3-phenylpropanoic acid
CID 91827493
(2R)-2-[(3,5-dinitrobenzoyl)amino]-3-phenylpropanoic acid
CID 7039897

Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-[[3-(2-phenylethyl)benzoyl]amino]propanoic acid?
The IUPAC name of (2S)-3-phenyl-2-[[3-(2-phenylethyl)benzoyl]amino]propanoic acid (CID 101236602) is (2S)-3-phenyl-2-[[3-(2-phenylethyl)benzoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-3-phenyl-2-[[3-(2-phenylethyl)benzoyl]amino]propanoic acid?
The canonical SMILES for (2S)-3-phenyl-2-[[3-(2-phenylethyl)benzoyl]amino]propanoic acid is O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cccc(CCc2ccccc2)c1.
What is the InChIKey of (2S)-3-phenyl-2-[[3-(2-phenylethyl)benzoyl]amino]propanoic acid?
The InChIKey is NTLCPRVTMUZTTQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H23NO3/c26-23(25-22(24(27)28)17-19-10-5-2-6-11-19)21-13-7-12-20(16-21)15-14-18-8-3-1-4-9-18/h1-13,16,22H,14-15,17H2,(H,25,26)(H,27,28)/t22-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-[[3-(2-phenylethyl)benzoyl]amino]propanoic acid?
(2S)-3-phenyl-2-[[3-(2-phenylethyl)benzoyl]amino]propanoic acid has a molecular weight of 373.45 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-[[3-(2-phenylethyl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 101236602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).