(2R)-2-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]-2-phenylacetic acid

C15H14N2O5 — CID 174616193

IUPAC(2R)-2-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]-2-phenylacetic acid
SMILESCc1cc(=O)c(C(=O)N[C@](O)(C(=O)O)c2ccccc2)c[nH]1
InChIInChI=1S/C15H14N2O5/c1-9-7-12(18)11(8-16-9)13(19)17-15(22,14(20)21)10-5-3-2-4-6-10/h2-8,22H,1H3,(H,16,18)(H,17,19)(H,20,21)/t15-/m1/s1
InChIKeyIBWRHUSVINVDBQ-OAHLLOKOSA-N
MW302.29 g/mol
LogP0.34
Rot. Bonds4

About (2R)-2-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]-2-phenylacetic acid

(2R)-2-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]-2-phenylacetic acid (PubChem CID 174616193) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]-2-phenylacetic acid
PubChem CID174616193
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name(2R)-2-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]-2-phenylacetic acid
SMILESCc1cc(=O)c(C(=O)N[C@](O)(C(=O)O)c2ccccc2)c[nH]1
InChIInChI=1S/C15H14N2O5/c1-9-7-12(18)11(8-16-9)13(19)17-15(22,14(20)21)10-5-3-2-4-6-10/h2-8,22H,1H3,(H,16,18)(H,17,19)(H,20,21)/t15-/m1/s1
InChIKeyIBWRHUSVINVDBQ-OAHLLOKOSA-N
XLogP0.34
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]-2-phenylacetic acid (CID 174616193) is (2R)-2-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]-2-phenylacetic acid is Cc1cc(=O)c(C(=O)N[C@](O)(C(=O)O)c2ccccc2)c[nH]1.
What is the InChIKey of (2R)-2-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is IBWRHUSVINVDBQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-9-7-12(18)11(8-16-9)13(19)17-15(22,14(20)21)10-5-3-2-4-6-10/h2-8,22H,1H3,(H,16,18)(H,17,19)(H,20,21)/t15-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]-2-phenylacetic acid?
(2R)-2-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 302.29 g/mol, XLogP of 0.34, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 174616193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).