(2R)-2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid

C23H20N2O4 — CID 1366278

IUPAC(2R)-2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid
SMILESO=C(Nc1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)O)c1ccccc1
InChIInChI=1S/C23H20N2O4/c26-21(17-11-5-2-6-12-17)24-19-14-8-7-13-18(19)22(27)25-20(23(28)29)15-16-9-3-1-4-10-16/h1-14,20H,15H2,(H,24,26)(H,25,27)(H,28,29)/t20-/m1/s1
InChIKeyFIUJJLVCDCAELT-HXUWFJFHSA-N
MW388.42 g/mol
LogP3.36
Rot. Bonds7

About (2R)-2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid

(2R)-2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid (PubChem CID 1366278) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is (2R)-2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid
PubChem CID1366278
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name(2R)-2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid
SMILESO=C(Nc1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)O)c1ccccc1
InChIInChI=1S/C23H20N2O4/c26-21(17-11-5-2-6-12-17)24-19-14-8-7-13-18(19)22(27)25-20(23(28)29)15-16-9-3-1-4-10-16/h1-14,20H,15H2,(H,24,26)(H,25,27)(H,28,29)/t20-/m1/s1
InChIKeyFIUJJLVCDCAELT-HXUWFJFHSA-N
XLogP3.36
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-2-[[2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoyl]amino]propanoic acid
CID 11827463
2-benzamido-N-[(2S)-1-(2-bromoanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 2173066
2-benzamido-N-[(2S)-1-phenylpropan-2-yl]benzamide
CID 51412226
2-benzamido-N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 1149397
3-phenyl-2-[[2-(1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carbonylamino)benzoyl]amino]propanoic acid
CID 11362067
2-benzamido-N-[(2S)-1-(3-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 1340046
2-[[(1R)-1-carboxy-2-phenylethyl]carbamoyl]benzoic acid
CID 149148944
(2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
CID 784806
2-[[2-[(5-methyl-1H-indole-2-carbonyl)amino]benzoyl]amino]-3-phenylpropanoic acid
CID 45482486
ethyl (2S)-2-[(2-benzamidobenzoyl)amino]butanoate
CID 2177719
(2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-phenylpropanoate
CID 7482305
2-benzamido-3-phenylpropanoic acid;2-fluoroacetaldehyde
CID 131965188

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid (CID 1366278) is (2R)-2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid is O=C(Nc1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid?
The InChIKey is FIUJJLVCDCAELT-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H20N2O4/c26-21(17-11-5-2-6-12-17)24-19-14-8-7-13-18(19)22(27)25-20(23(28)29)15-16-9-3-1-4-10-16/h1-14,20H,15H2,(H,24,26)(H,25,27)(H,28,29)/t20-/m1/s1.
What are the key properties of (2R)-2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid?
(2R)-2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid has a molecular weight of 388.42 g/mol, XLogP of 3.36, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 1366278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).