cis-(1S,2R)-2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid

C14H18N2O4 — CID 129468473

IUPACcis-(1S,2R)-2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESC[C@@]1(NC(=O)c2cc[nH]c(=O)c2)CCCC[C@@H]1C(=O)O
InChIInChI=1S/C14H18N2O4/c1-14(6-3-2-4-10(14)13(19)20)16-12(18)9-5-7-15-11(17)8-9/h5,7-8,10H,2-4,6H2,1H3,(H,15,17)(H,16,18)(H,19,20)/t10-,14-/m1/s1
InChIKeyYVEKMKWPDZZQEB-QMTHXVAHSA-N
MW278.31 g/mol
LogP1.14
Rot. Bonds3

About cis-(1S,2R)-2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid

cis-(1S,2R)-2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 129468473) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is cis-(1S,2R)-2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID129468473
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namecis-(1S,2R)-2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESC[C@@]1(NC(=O)c2cc[nH]c(=O)c2)CCCC[C@@H]1C(=O)O
InChIInChI=1S/C14H18N2O4/c1-14(6-3-2-4-10(14)13(19)20)16-12(18)9-5-7-15-11(17)8-9/h5,7-8,10H,2-4,6H2,1H3,(H,15,17)(H,16,18)(H,19,20)/t10-,14-/m1/s1
InChIKeyYVEKMKWPDZZQEB-QMTHXVAHSA-N
XLogP1.14
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 129468473) is cis-(1S,2R)-2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is C[C@@]1(NC(=O)c2cc[nH]c(=O)c2)CCCC[C@@H]1C(=O)O.
What is the InChIKey of cis-(1S,2R)-2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is YVEKMKWPDZZQEB-QMTHXVAHSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-14(6-3-2-4-10(14)13(19)20)16-12(18)9-5-7-15-11(17)8-9/h5,7-8,10H,2-4,6H2,1H3,(H,15,17)(H,16,18)(H,19,20)/t10-,14-/m1/s1.
What are the key properties of cis-(1S,2R)-2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
cis-(1S,2R)-2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 129468473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).