3-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

C14H22N2O3 — CID 114172541

IUPAC3-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1=CCCN(C(=O)NC2CCCC(C(=O)O)C2)C1
InChIInChI=1S/C14H22N2O3/c1-10-4-3-7-16(9-10)14(19)15-12-6-2-5-11(8-12)13(17)18/h4,11-12H,2-3,5-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyILRLWQXQBUFGNC-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.99
Rot. Bonds2

About 3-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

3-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 114172541) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID114172541
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1=CCCN(C(=O)NC2CCCC(C(=O)O)C2)C1
InChIInChI=1S/C14H22N2O3/c1-10-4-3-7-16(9-10)14(19)15-12-6-2-5-11(8-12)13(17)18/h4,11-12H,2-3,5-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyILRLWQXQBUFGNC-UHFFFAOYSA-N
XLogP1.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 106313541
3-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 106316277
3-[(3-hydroxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55147885
3-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 113418310
3-(thiomorpholine-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 63041930
3-[(4-aminopiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55147693
3-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63044455
3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 63042467
3-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 63041940
cis-(1S,2R)-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 106313385
cis-(1R,3S)-3-(azocane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106324241
(3S)-1-[(3-ethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126411

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 114172541) is 3-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is CC1=CCCN(C(=O)NC2CCCC(C(=O)O)C2)C1.
What is the InChIKey of 3-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is ILRLWQXQBUFGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10-4-3-7-16(9-10)14(19)15-12-6-2-5-11(8-12)13(17)18/h4,11-12H,2-3,5-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 3-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
3-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114172541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).