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

C12H16N2O5 — CID 24696575

IUPAC2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)c1cc(O)[nH]c(=O)c1)C(=O)O
InChIInChI=1S/C12H16N2O5/c1-3-6(2)10(12(18)19)14-11(17)7-4-8(15)13-9(16)5-7/h4-6,10H,3H2,1-2H3,(H,14,17)(H,18,19)(H2,13,15,16)
InChIKeyIOYPOGLRRMBTAM-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.31
Rot. Bonds5

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

2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-3-methylpentanoic acid (PubChem CID 24696575) 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]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-3-methylpentanoic acid
PubChem CID24696575
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)c1cc(O)[nH]c(=O)c1)C(=O)O
InChIInChI=1S/C12H16N2O5/c1-3-6(2)10(12(18)19)14-11(17)7-4-8(15)13-9(16)5-7/h4-6,10H,3H2,1-2H3,(H,14,17)(H,18,19)(H2,13,15,16)
InChIKeyIOYPOGLRRMBTAM-UHFFFAOYSA-N
XLogP0.31
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
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

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Related Compounds

(2S,3S)-2-(hexa-2,4-dienoylamino)-3-methylpentanoic acid
CID 61132393
(2S,3R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 69473959
(2S,3R)-2-[(1-butyl-5-ethyl-6-methyl-2-oxopyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 71179336
(2S)-4-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid
CID 119362151
2-amino-4-methylpentanoic acid;2-[[(E)-2-methylbut-2-enoyl]amino]acetic acid
CID 138543859
(2S,3S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-3-methylpentanoic acid
CID 141307784
2-[(1-Butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-ethylpentanoic acid
CID 174523156
2-[[2-(3-Acetyl-2-oxo-1-pyridinyl)acetyl]amino]-3-methylpentanoic acid
CID 174666957
2-[3-(2-Aminoethyl)-2-oxo-1-pyridinyl]-4-methylpentanoic acid
CID 175327144
2-[[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-20-(1-carboxyethylamino)-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoyl]amino]-3-methylpentanoic acid
CID 178499670
2-[[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-20-[(1-carboxy-2-methylbutyl)amino]-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoyl]amino]-3-methylpentanoic acid
CID 178499677
2-[[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-20-[(1-carboxy-2-methylpropyl)amino]-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoyl]amino]-3-methylpentanoic acid
CID 178499683

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-3-methylpentanoic acid?
The IUPAC name of 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-3-methylpentanoic acid (CID 24696575) is 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-3-methylpentanoic acid is CCC(C)C(NC(=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]-3-methylpentanoic acid?
The InChIKey is IOYPOGLRRMBTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-3-6(2)10(12(18)19)14-11(17)7-4-8(15)13-9(16)5-7/h4-6,10H,3H2,1-2H3,(H,14,17)(H,18,19)(H2,13,15,16).
What are the key properties of 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-3-methylpentanoic acid?
2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-3-methylpentanoic acid has a molecular weight of 268.27 g/mol, XLogP of 0.31, 5 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]-3-methylpentanoic acid is sourced from PubChem (CID 24696575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).