(2S)-2-amino-3-[4-[(4-phenylbenzoyl)amino]phenyl]propanoic acid

C22H20N2O3 — CID 58987459

IUPAC(2S)-2-amino-3-[4-[(4-phenylbenzoyl)amino]phenyl]propanoic acid
SMILESN[C@@H](Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1)C(=O)O
InChIInChI=1S/C22H20N2O3/c23-20(22(26)27)14-15-6-12-19(13-7-15)24-21(25)18-10-8-17(9-11-18)16-4-2-1-3-5-16/h1-13,20H,14,23H2,(H,24,25)(H,26,27)/t20-/m0/s1
InChIKeyXHQLWGDMMFMCPX-FQEVSTJZSA-N
MW360.41 g/mol
LogP3.56
Rot. Bonds6

About (2S)-2-amino-3-[4-[(4-phenylbenzoyl)amino]phenyl]propanoic acid

(2S)-2-amino-3-[4-[(4-phenylbenzoyl)amino]phenyl]propanoic acid (PubChem CID 58987459) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-[(4-phenylbenzoyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-[(4-phenylbenzoyl)amino]phenyl]propanoic acid
PubChem CID58987459
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name(2S)-2-amino-3-[4-[(4-phenylbenzoyl)amino]phenyl]propanoic acid
SMILESN[C@@H](Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1)C(=O)O
InChIInChI=1S/C22H20N2O3/c23-20(22(26)27)14-15-6-12-19(13-7-15)24-21(25)18-10-8-17(9-11-18)16-4-2-1-3-5-16/h1-13,20H,14,23H2,(H,24,25)(H,26,27)/t20-/m0/s1
InChIKeyXHQLWGDMMFMCPX-FQEVSTJZSA-N
XLogP3.56
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
(2S)-2-amino-3-[4-(phenylcarbamoylamino)phenyl]propanoic acid
CID 130323270
4-(acetamidomethyl)-N-(4-phenylphenyl)benzamide
CID 78805930
(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421
(2S)-2-amino-3-[4-(pyridin-3-ylcarbamoyl)phenyl]propanoic acid
CID 146352508
N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408
2-amino-3-(4-phenylphenyl)propanoic acid;(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 66615741
N-[4-(2-amino-3-hydroxypropyl)phenyl]benzamide
CID 22634902
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
(2S)-2-amino-3-[4-[2-(4-phenylphenyl)butylcarbamoyl]phenyl]propanoic acid
CID 121454841
4-[4-(aminomethyl)phenyl]-N-phenylbenzamide
CID 91665672
(3R)-3-amino-4-(4-phenylphenyl)butan-2-one
CID 159098025

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[4-[(4-phenylbenzoyl)amino]phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[4-[(4-phenylbenzoyl)amino]phenyl]propanoic acid (CID 58987459) is (2S)-2-amino-3-[4-[(4-phenylbenzoyl)amino]phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[4-[(4-phenylbenzoyl)amino]phenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[4-[(4-phenylbenzoyl)amino]phenyl]propanoic acid is N[C@@H](Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[4-[(4-phenylbenzoyl)amino]phenyl]propanoic acid?
The InChIKey is XHQLWGDMMFMCPX-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H20N2O3/c23-20(22(26)27)14-15-6-12-19(13-7-15)24-21(25)18-10-8-17(9-11-18)16-4-2-1-3-5-16/h1-13,20H,14,23H2,(H,24,25)(H,26,27)/t20-/m0/s1.
What are the key properties of (2S)-2-amino-3-[4-[(4-phenylbenzoyl)amino]phenyl]propanoic acid?
(2S)-2-amino-3-[4-[(4-phenylbenzoyl)amino]phenyl]propanoic acid has a molecular weight of 360.41 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[4-[(4-phenylbenzoyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 58987459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).