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

C14H18N2O5 — CID 61014900

IUPAC2-cyclohexyl-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CCCCC1)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C14H18N2O5/c17-10-6-9(7-11(18)15-10)13(19)16-12(14(20)21)8-4-2-1-3-5-8/h6-8,12H,1-5H2,(H,16,19)(H,20,21)(H2,15,17,18)
InChIKeyLUPYYMQBWZDHQC-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.84
Rot. Bonds4

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

2-cyclohexyl-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]acetic acid (PubChem CID 61014900) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]acetic acid
PubChem CID61014900
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-cyclohexyl-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CCCCC1)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C14H18N2O5/c17-10-6-9(7-11(18)15-10)13(19)16-12(14(20)21)8-4-2-1-3-5-8/h6-8,12H,1-5H2,(H,16,19)(H,20,21)(H2,15,17,18)
InChIKeyLUPYYMQBWZDHQC-UHFFFAOYSA-N
XLogP0.84
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-Methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43350918
1-(2-Oxo-1,2-dihydropyridine-3-carboxamido)cyclohexane-1-carboxylic acid
CID 24691617
1-(6-Oxo-1,6-dihydropyridine-3-carboxamido)cyclohexane-1-carboxylic acid
CID 24698201
2-acetamido-3-[4-[[(2E)-4-(diaminomethylideneamino)-2-ethenylpenta-2,4-dienoyl]amino]cyclohexyl]propanoic acid
CID 141882108
1-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 24691815
7-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]heptanoic acid
CID 24693793
2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-3-methylpentanoic acid
CID 24696575
2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 24706994
(2S,3S)-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-3-methylpentanoic acid
CID 28185865
(2R)-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 28208839
(2S)-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 28208841
4-methyl-1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341405

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]acetic acid (CID 61014900) is 2-cyclohexyl-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]acetic acid is O=C(NC(C(=O)O)C1CCCCC1)c1cc(O)[nH]c(=O)c1.
What is the InChIKey of 2-cyclohexyl-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]acetic acid?
The InChIKey is LUPYYMQBWZDHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c17-10-6-9(7-11(18)15-10)13(19)16-12(14(20)21)8-4-2-1-3-5-8/h6-8,12H,1-5H2,(H,16,19)(H,20,21)(H2,15,17,18).
What are the key properties of 2-cyclohexyl-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]acetic acid?
2-cyclohexyl-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]acetic acid has a molecular weight of 294.31 g/mol, XLogP of 0.84, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 61014900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).