(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid

C13H21NO3 — CID 42083438

IUPAC(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)C1CCCCC1
InChIInChI=1S/C13H21NO3/c15-12(10-6-2-1-3-7-10)14-9-5-4-8-11(14)13(16)17/h10-11H,1-9H2,(H,16,17)/t11-/m0/s1
InChIKeyHYHWFZOGQTYMQV-NSHDSACASA-N
MW239.31 g/mol
LogP2.03
Rot. Bonds2

About (2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid

(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid (PubChem CID 42083438) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is (2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid
PubChem CID42083438
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)C1CCCCC1
InChIInChI=1S/C13H21NO3/c15-12(10-6-2-1-3-7-10)14-9-5-4-8-11(14)13(16)17/h10-11H,1-9H2,(H,16,17)/t11-/m0/s1
InChIKeyHYHWFZOGQTYMQV-NSHDSACASA-N
XLogP2.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-1-(cyclohexanecarbonyl)piperidine-2-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

1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
CID 114239738
1-(cycloheptanecarbonyl)azepane-2-carboxylic acid
CID 64560695
1-(cyclohexanecarbonyl)azepane-2-carboxylic acid
CID 64559163
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
1-(1-acetylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64560305
(2R)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 79034818
(2S)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 66262956
1-(cyclohept-4-ene-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 136558034
1-(1-acetylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 43171073
(2S)-1-(1-carbamoylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 66262849
1-(oxane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 43209805
1-(4-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 61158042

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid (CID 42083438) is (2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid is O=C(O)[C@@H]1CCCCN1C(=O)C1CCCCC1.
What is the InChIKey of (2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid?
The InChIKey is HYHWFZOGQTYMQV-NSHDSACASA-N. The full InChI is InChI=1S/C13H21NO3/c15-12(10-6-2-1-3-7-10)14-9-5-4-8-11(14)13(16)17/h10-11H,1-9H2,(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid?
(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 42083438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).