2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-methylamino]propanoic acid

C10H12N2O5 — CID 62626705

IUPAC2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C10H12N2O5/c1-5(10(16)17)12(2)9(15)6-3-7(13)11-8(14)4-6/h3-5H,1-2H3,(H,16,17)(H2,11,13,14)
InChIKeyAEVYFRPSTNVNSM-UHFFFAOYSA-N
MW240.21 g/mol
LogP-0.37
Rot. Bonds3

About 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-methylamino]propanoic acid

2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-methylamino]propanoic acid (PubChem CID 62626705) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-methylamino]propanoic acid
PubChem CID62626705
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C10H12N2O5/c1-5(10(16)17)12(2)9(15)6-3-7(13)11-8(14)4-6/h3-5H,1-2H3,(H,16,17)(H2,11,13,14)
InChIKeyAEVYFRPSTNVNSM-UHFFFAOYSA-N
XLogP-0.37
TPSA110.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-methylamino]propanoic acid?
The IUPAC name of 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-methylamino]propanoic acid (CID 62626705) is 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-methylamino]propanoic acid.
What is the SMILES notation for 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-methylamino]propanoic acid?
The canonical SMILES for 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)c1cc(O)[nH]c(=O)c1.
What is the InChIKey of 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-methylamino]propanoic acid?
The InChIKey is AEVYFRPSTNVNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-5(10(16)17)12(2)9(15)6-3-7(13)11-8(14)4-6/h3-5H,1-2H3,(H,16,17)(H2,11,13,14).
What are the key properties of 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-methylamino]propanoic acid?
2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-methylamino]propanoic acid has a molecular weight of 240.21 g/mol, XLogP of -0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-methylamino]propanoic acid is sourced from PubChem (CID 62626705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).