3-[[(2S)-2-amino-2-phenylacetyl]amino]benzoic acid

C15H14N2O3 — CID 103868733

IUPAC3-[[(2S)-2-amino-2-phenylacetyl]amino]benzoic acid
SMILESN[C@H](C(=O)Nc1cccc(C(=O)O)c1)c1ccccc1
InChIInChI=1S/C15H14N2O3/c16-13(10-5-2-1-3-6-10)14(18)17-12-8-4-7-11(9-12)15(19)20/h1-9,13H,16H2,(H,17,18)(H,19,20)/t13-/m0/s1
InChIKeyYYNFNLDMTYIVOS-ZDUSSCGKSA-N
MW270.29 g/mol
LogP2.02
Rot. Bonds4

About 3-[[(2S)-2-amino-2-phenylacetyl]amino]benzoic acid

3-[[(2S)-2-amino-2-phenylacetyl]amino]benzoic acid (PubChem CID 103868733) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-[[(2S)-2-amino-2-phenylacetyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[(2S)-2-amino-2-phenylacetyl]amino]benzoic acid
PubChem CID103868733
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name3-[[(2S)-2-amino-2-phenylacetyl]amino]benzoic acid
SMILESN[C@H](C(=O)Nc1cccc(C(=O)O)c1)c1ccccc1
InChIInChI=1S/C15H14N2O3/c16-13(10-5-2-1-3-6-10)14(18)17-12-8-4-7-11(9-12)15(19)20/h1-9,13H,16H2,(H,17,18)(H,19,20)/t13-/m0/s1
InChIKeyYYNFNLDMTYIVOS-ZDUSSCGKSA-N
XLogP2.02
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2S)-2-amino-2-phenylacetyl]amino]benzamide
CID 22691729
5-[[(2R)-2-amino-2-phenylacetyl]amino]-2-bromobenzoic acid
CID 115296327
4-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylbenzoic acid
CID 103869544
4-[[(2S)-2-amino-2-phenylacetyl]amino]-3-chlorobenzoic acid
CID 103869601
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-tert-butylbenzamide
CID 120667141
2-amino-N-(3,5-dimethylphenyl)-2-phenylacetamide
CID 24701080
3-[(2-chloro-2-phenylacetyl)amino]benzamide
CID 43346587
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]benzoic acid
CID 61156933
3-[(2-amino-3-methoxypropanoyl)amino]benzoic acid
CID 81088494
(2R)-N-(4-acetylphenyl)-2-amino-2-phenylacetamide
CID 61259858
(2R)-2-amino-N-(3-bromo-4-fluorophenyl)-2-phenylacetamide
CID 103794894
2-amino-N-(4-bromo-3-methylphenyl)-2-phenylacetamide
CID 24709561

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-amino-2-phenylacetyl]amino]benzoic acid?
The IUPAC name of 3-[[(2S)-2-amino-2-phenylacetyl]amino]benzoic acid (CID 103868733) is 3-[[(2S)-2-amino-2-phenylacetyl]amino]benzoic acid.
What is the SMILES notation for 3-[[(2S)-2-amino-2-phenylacetyl]amino]benzoic acid?
The canonical SMILES for 3-[[(2S)-2-amino-2-phenylacetyl]amino]benzoic acid is N[C@H](C(=O)Nc1cccc(C(=O)O)c1)c1ccccc1.
What is the InChIKey of 3-[[(2S)-2-amino-2-phenylacetyl]amino]benzoic acid?
The InChIKey is YYNFNLDMTYIVOS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14N2O3/c16-13(10-5-2-1-3-6-10)14(18)17-12-8-4-7-11(9-12)15(19)20/h1-9,13H,16H2,(H,17,18)(H,19,20)/t13-/m0/s1.
What are the key properties of 3-[[(2S)-2-amino-2-phenylacetyl]amino]benzoic acid?
3-[[(2S)-2-amino-2-phenylacetyl]amino]benzoic acid has a molecular weight of 270.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-amino-2-phenylacetyl]amino]benzoic acid is sourced from PubChem (CID 103868733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).