2-cyclohexyl-2-[(3-hydroxypyridine-2-carbonyl)amino]acetic acid

C14H18N2O4 — CID 61013926

IUPAC2-cyclohexyl-2-[(3-hydroxypyridine-2-carbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CCCCC1)c1ncccc1O
InChIInChI=1S/C14H18N2O4/c17-10-7-4-8-15-12(10)13(18)16-11(14(19)20)9-5-2-1-3-6-9/h4,7-9,11,17H,1-3,5-6H2,(H,16,18)(H,19,20)
InChIKeyCEIMXHUXSIFZIL-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.55
Rot. Bonds4

About 2-cyclohexyl-2-[(3-hydroxypyridine-2-carbonyl)amino]acetic acid

2-cyclohexyl-2-[(3-hydroxypyridine-2-carbonyl)amino]acetic acid (PubChem CID 61013926) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(3-hydroxypyridine-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(3-hydroxypyridine-2-carbonyl)amino]acetic acid
PubChem CID61013926
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-cyclohexyl-2-[(3-hydroxypyridine-2-carbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CCCCC1)c1ncccc1O
InChIInChI=1S/C14H18N2O4/c17-10-7-4-8-15-12(10)13(18)16-11(14(19)20)9-5-2-1-3-6-9/h4,7-9,11,17H,1-3,5-6H2,(H,16,18)(H,19,20)
InChIKeyCEIMXHUXSIFZIL-UHFFFAOYSA-N
XLogP1.55
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-aminopyridine-2-carbonyl)amino]-2-cyclohexylacetic acid
CID 104741907
3-cyclopropyl-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid
CID 112734988
(2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid
CID 59513093
2-[(5-bromo-2-hydroxybenzoyl)amino]-2-cyclohexylacetic acid
CID 107729315
2-(oxan-4-yl)-2-[[3-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid
CID 166313126
N-(2-cyclohexylethyl)-3-hydroxypyridine-2-carboxamide
CID 54861320
2-cyclohexyl-2-[(5-methylpyrazine-2-carbonyl)amino]acetic acid
CID 61014498
2-[(5-bromothiophene-2-carbonyl)amino]-2-cyclohexylacetic acid
CID 54901538
2-cyclopropyl-2-(quinoline-5-carbonylamino)acetic acid
CID 62696329
4-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]butanoic acid
CID 61243452
3-bromo-N-(1-cyclobutylethyl)pyridine-2-carboxamide
CID 107519381
2-[(3-hydroxypyridine-2-carbonyl)amino]pentanoic acid
CID 54860839

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(3-hydroxypyridine-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(3-hydroxypyridine-2-carbonyl)amino]acetic acid (CID 61013926) is 2-cyclohexyl-2-[(3-hydroxypyridine-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(3-hydroxypyridine-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(3-hydroxypyridine-2-carbonyl)amino]acetic acid is O=C(NC(C(=O)O)C1CCCCC1)c1ncccc1O.
What is the InChIKey of 2-cyclohexyl-2-[(3-hydroxypyridine-2-carbonyl)amino]acetic acid?
The InChIKey is CEIMXHUXSIFZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-10-7-4-8-15-12(10)13(18)16-11(14(19)20)9-5-2-1-3-6-9/h4,7-9,11,17H,1-3,5-6H2,(H,16,18)(H,19,20).
What are the key properties of 2-cyclohexyl-2-[(3-hydroxypyridine-2-carbonyl)amino]acetic acid?
2-cyclohexyl-2-[(3-hydroxypyridine-2-carbonyl)amino]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(3-hydroxypyridine-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 61013926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).