(2S)-2-[(2-hydroxybenzoyl)amino]-2-phenylacetic acid

C15H13NO4 — CID 30045838

IUPAC(2S)-2-[(2-hydroxybenzoyl)amino]-2-phenylacetic acid
SMILESO=C(N[C@H](C(=O)O)c1ccccc1)c1ccccc1O
InChIInChI=1S/C15H13NO4/c17-12-9-5-4-8-11(12)14(18)16-13(15(19)20)10-6-2-1-3-7-10/h1-9,13,17H,(H,16,18)(H,19,20)/t13-/m0/s1
InChIKeyLXYHTGWTCOVRQU-ZDUSSCGKSA-N
MW271.27 g/mol
LogP1.95
Rot. Bonds4

About (2S)-2-[(2-hydroxybenzoyl)amino]-2-phenylacetic acid

(2S)-2-[(2-hydroxybenzoyl)amino]-2-phenylacetic acid (PubChem CID 30045838) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is (2S)-2-[(2-hydroxybenzoyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[(2-hydroxybenzoyl)amino]-2-phenylacetic acid
PubChem CID30045838
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name(2S)-2-[(2-hydroxybenzoyl)amino]-2-phenylacetic acid
SMILESO=C(N[C@H](C(=O)O)c1ccccc1)c1ccccc1O
InChIInChI=1S/C15H13NO4/c17-12-9-5-4-8-11(12)14(18)16-13(15(19)20)10-6-2-1-3-7-10/h1-9,13,17H,(H,16,18)(H,19,20)/t13-/m0/s1
InChIKeyLXYHTGWTCOVRQU-ZDUSSCGKSA-N
XLogP1.95
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-hydroxybenzoyl)amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[(2-hydroxybenzoyl)amino]-2-phenylacetic acid (CID 30045838) is (2S)-2-[(2-hydroxybenzoyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[(2-hydroxybenzoyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[(2-hydroxybenzoyl)amino]-2-phenylacetic acid is O=C(N[C@H](C(=O)O)c1ccccc1)c1ccccc1O.
What is the InChIKey of (2S)-2-[(2-hydroxybenzoyl)amino]-2-phenylacetic acid?
The InChIKey is LXYHTGWTCOVRQU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H13NO4/c17-12-9-5-4-8-11(12)14(18)16-13(15(19)20)10-6-2-1-3-7-10/h1-9,13,17H,(H,16,18)(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-2-[(2-hydroxybenzoyl)amino]-2-phenylacetic acid?
(2S)-2-[(2-hydroxybenzoyl)amino]-2-phenylacetic acid has a molecular weight of 271.27 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-hydroxybenzoyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 30045838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).