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

C12H16N2O5 — CID 65218519

IUPAC2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1cc(O)[nH]c(=O)c1)C(=O)O
InChIInChI=1S/C12H16N2O5/c1-2-3-7(12(18)19)6-13-11(17)8-4-9(15)14-10(16)5-8/h4-5,7H,2-3,6H2,1H3,(H,13,17)(H,18,19)(H2,14,15,16)
InChIKeyMQTOLPNBJWTAMS-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.31
Rot. Bonds6

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

2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pentanoic acid (PubChem CID 65218519) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pentanoic acid
PubChem CID65218519
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1cc(O)[nH]c(=O)c1)C(=O)O
InChIInChI=1S/C12H16N2O5/c1-2-3-7(12(18)19)6-13-11(17)8-4-9(15)14-10(16)5-8/h4-5,7H,2-3,6H2,1H3,(H,13,17)(H,18,19)(H2,14,15,16)
InChIKeyMQTOLPNBJWTAMS-UHFFFAOYSA-N
XLogP0.31
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pentanoic acid with MolForge

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Related Compounds

2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid
CID 65219647
(2S)-2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]propanoic acid
CID 107833494
2-[[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]methyl]pentanoic acid
CID 65223162
N-(2,3-dihydroxypropyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide
CID 66177293
N-(2-amino-3-hydroxybutyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide
CID 64539564
2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]acetic acid
CID 24711531
2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid
CID 65219989
2-[[(3,5-dichloro-4-methoxybenzoyl)amino]methyl]pentanoic acid
CID 65218880
3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 113307764
2-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid
CID 65219089
2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid
CID 66173796
1-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113311941

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pentanoic acid (CID 65218519) is 2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pentanoic acid is CCCC(CNC(=O)c1cc(O)[nH]c(=O)c1)C(=O)O.
What is the InChIKey of 2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is MQTOLPNBJWTAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-2-3-7(12(18)19)6-13-11(17)8-4-9(15)14-10(16)5-8/h4-5,7H,2-3,6H2,1H3,(H,13,17)(H,18,19)(H2,14,15,16).
What are the key properties of 2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pentanoic acid?
2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 268.27 g/mol, XLogP of 0.31, 6 rotatable bonds, 4 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)amino]methyl]pentanoic acid is sourced from PubChem (CID 65218519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).