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

C15H24N2O3 — CID 106315949

IUPAC1-[[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1=CCCN(C(=O)NCC2(C(=O)O)CCCCC2)C1
InChIInChI=1S/C15H24N2O3/c1-12-6-5-9-17(10-12)14(20)16-11-15(13(18)19)7-3-2-4-8-15/h6H,2-5,7-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyKGSNOXILKBEIEO-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.38
Rot. Bonds3

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

1-[[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 106315949) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID106315949
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-[[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1=CCCN(C(=O)NCC2(C(=O)O)CCCCC2)C1
InChIInChI=1S/C15H24N2O3/c1-12-6-5-9-17(10-12)14(20)16-11-15(13(18)19)7-3-2-4-8-15/h6H,2-5,7-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyKGSNOXILKBEIEO-UHFFFAOYSA-N
XLogP2.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.38
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

1-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 102963018
1-[[(3-methoxycarbonylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434458
1-[(8-azaspiro[4.5]decane-8-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446802
1-[[(3-aminopiperidine-1-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115444749
1-[[(3,4-dimethylpiperazine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434335
1-[[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436961
1-[[(4-acetyl-1,4-diazepane-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115446651
1-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434102
1-[(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 115560963
1-[[(4-methyl-1,4-diazepane-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115446252
1-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434336
1-[(1,4-diazepane-1-carbonylamino)methyl]cyclopentane-1-carboxylic acid
CID 115434085

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 106315949) is 1-[[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is CC1=CCCN(C(=O)NCC2(C(=O)O)CCCCC2)C1.
What is the InChIKey of 1-[[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is KGSNOXILKBEIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-12-6-5-9-17(10-12)14(20)16-11-15(13(18)19)7-3-2-4-8-15/h6H,2-5,7-11H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 1-[[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
1-[[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106315949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).