(2R)-2-[formyl-(6-methyl-4-oxo-1H-pyridin-3-yl)amino]-2-(4-hydroxyphenyl)acetic acid

C15H14N2O5 — CID 175040780

IUPAC(2R)-2-[formyl-(6-methyl-4-oxo-1H-pyridin-3-yl)amino]-2-(4-hydroxyphenyl)acetic acid
SMILESCc1cc(=O)c(N(C=O)[C@@H](C(=O)O)c2ccc(O)cc2)c[nH]1
InChIInChI=1S/C15H14N2O5/c1-9-6-13(20)12(7-16-9)17(8-18)14(15(21)22)10-2-4-11(19)5-3-10/h2-8,14,19H,1H3,(H,16,20)(H,21,22)/t14-/m1/s1
InChIKeyCPHGOMNVTBSQBW-CQSZACIVSA-N
MW302.29 g/mol
LogP1.18
Rot. Bonds5

About (2R)-2-[formyl-(6-methyl-4-oxo-1H-pyridin-3-yl)amino]-2-(4-hydroxyphenyl)acetic acid

(2R)-2-[formyl-(6-methyl-4-oxo-1H-pyridin-3-yl)amino]-2-(4-hydroxyphenyl)acetic acid (PubChem CID 175040780) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is (2R)-2-[formyl-(6-methyl-4-oxo-1H-pyridin-3-yl)amino]-2-(4-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-[formyl-(6-methyl-4-oxo-1H-pyridin-3-yl)amino]-2-(4-hydroxyphenyl)acetic acid
PubChem CID175040780
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name(2R)-2-[formyl-(6-methyl-4-oxo-1H-pyridin-3-yl)amino]-2-(4-hydroxyphenyl)acetic acid
SMILESCc1cc(=O)c(N(C=O)[C@@H](C(=O)O)c2ccc(O)cc2)c[nH]1
InChIInChI=1S/C15H14N2O5/c1-9-6-13(20)12(7-16-9)17(8-18)14(15(21)22)10-2-4-11(19)5-3-10/h2-8,14,19H,1H3,(H,16,20)(H,21,22)/t14-/m1/s1
InChIKeyCPHGOMNVTBSQBW-CQSZACIVSA-N
XLogP1.18
TPSA110.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[formyl-(6-methyl-4-oxo-1H-pyridin-3-yl)amino]-2-(4-hydroxyphenyl)acetic acid?
The IUPAC name of (2R)-2-[formyl-(6-methyl-4-oxo-1H-pyridin-3-yl)amino]-2-(4-hydroxyphenyl)acetic acid (CID 175040780) is (2R)-2-[formyl-(6-methyl-4-oxo-1H-pyridin-3-yl)amino]-2-(4-hydroxyphenyl)acetic acid.
What is the SMILES notation for (2R)-2-[formyl-(6-methyl-4-oxo-1H-pyridin-3-yl)amino]-2-(4-hydroxyphenyl)acetic acid?
The canonical SMILES for (2R)-2-[formyl-(6-methyl-4-oxo-1H-pyridin-3-yl)amino]-2-(4-hydroxyphenyl)acetic acid is Cc1cc(=O)c(N(C=O)[C@@H](C(=O)O)c2ccc(O)cc2)c[nH]1.
What is the InChIKey of (2R)-2-[formyl-(6-methyl-4-oxo-1H-pyridin-3-yl)amino]-2-(4-hydroxyphenyl)acetic acid?
The InChIKey is CPHGOMNVTBSQBW-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-9-6-13(20)12(7-16-9)17(8-18)14(15(21)22)10-2-4-11(19)5-3-10/h2-8,14,19H,1H3,(H,16,20)(H,21,22)/t14-/m1/s1.
What are the key properties of (2R)-2-[formyl-(6-methyl-4-oxo-1H-pyridin-3-yl)amino]-2-(4-hydroxyphenyl)acetic acid?
(2R)-2-[formyl-(6-methyl-4-oxo-1H-pyridin-3-yl)amino]-2-(4-hydroxyphenyl)acetic acid has a molecular weight of 302.29 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[formyl-(6-methyl-4-oxo-1H-pyridin-3-yl)amino]-2-(4-hydroxyphenyl)acetic acid is sourced from PubChem (CID 175040780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).