cis-(1S,2R)-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid

C14H21NO3 — CID 106313385

IUPACcis-(1S,2R)-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESCC1=CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)O)C1
InChIInChI=1S/C14H21NO3/c1-10-5-4-8-15(9-10)13(16)11-6-2-3-7-12(11)14(17)18/h5,11-12H,2-4,6-9H2,1H3,(H,17,18)/t11-,12+/m1/s1
InChIKeyZBLDWHAEDWSMJM-NEPJUHHUSA-N
MW251.33 g/mol
LogP2.06
Rot. Bonds2

About cis-(1S,2R)-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid

cis-(1S,2R)-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 106313385) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is cis-(1S,2R)-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID106313385
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namecis-(1S,2R)-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESCC1=CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)O)C1
InChIInChI=1S/C14H21NO3/c1-10-5-4-8-15(9-10)13(16)11-6-2-3-7-12(11)14(17)18/h5,11-12H,2-4,6-9H2,1H3,(H,17,18)/t11-,12+/m1/s1
InChIKeyZBLDWHAEDWSMJM-NEPJUHHUSA-N
XLogP2.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cis-(1S,2R)-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 106316277
2-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 114408103
2-[4-(2-carboxycyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 4025165
trans-(1S,2S)-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 124723311
2-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 16786759
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 106313965
2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 2933500
2-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120976930
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexane-1-carboxylic acid
CID 4688630
N-cyclohexyl-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 106313541
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpiperidin-4-yl)methanone
CID 106314070
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexane-1-carboxylic acid
CID 132590660

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid (CID 106313385) is cis-(1S,2R)-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid is CC1=CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)O)C1.
What is the InChIKey of cis-(1S,2R)-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is ZBLDWHAEDWSMJM-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-5-4-8-15(9-10)13(16)11-6-2-3-7-12(11)14(17)18/h5,11-12H,2-4,6-9H2,1H3,(H,17,18)/t11-,12+/m1/s1.
What are the key properties of cis-(1S,2R)-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid?
cis-(1S,2R)-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106313385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).