(2S)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid

C13H22N2O3 — CID 66262956

IUPAC(2S)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid
SMILESNC1CCC(C(=O)N2CCCC[C@H]2C(=O)O)CC1
InChIInChI=1S/C13H22N2O3/c14-10-6-4-9(5-7-10)12(16)15-8-2-1-3-11(15)13(17)18/h9-11H,1-8,14H2,(H,17,18)/t9?,10?,11-/m0/s1
InChIKeyFKMMAMQAYKKZGG-ILDUYXDCSA-N
MW254.33 g/mol
LogP0.97
Rot. Bonds2

About (2S)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid

(2S)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid (PubChem CID 66262956) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is (2S)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid
PubChem CID66262956
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name(2S)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid
SMILESNC1CCC(C(=O)N2CCCC[C@H]2C(=O)O)CC1
InChIInChI=1S/C13H22N2O3/c14-10-6-4-9(5-7-10)12(16)15-8-2-1-3-11(15)13(17)18/h9-11H,1-8,14H2,(H,17,18)/t9?,10?,11-/m0/s1
InChIKeyFKMMAMQAYKKZGG-ILDUYXDCSA-N
XLogP0.97
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 79034818
1-(4-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 61158042
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
CID 114239738
(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 42083438
1-(cyclohexanecarbonyl)azepane-2-carboxylic acid
CID 64559163
1-(cycloheptanecarbonyl)azepane-2-carboxylic acid
CID 64560695
1-(cyclohept-4-ene-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 136558034
1-(3-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 55148085
(2R)-1-(1-methylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
CID 79034572
1-(1-acetylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64560305
1-(oxane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 43209805

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid (CID 66262956) is (2S)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid is NC1CCC(C(=O)N2CCCC[C@H]2C(=O)O)CC1.
What is the InChIKey of (2S)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid?
The InChIKey is FKMMAMQAYKKZGG-ILDUYXDCSA-N. The full InChI is InChI=1S/C13H22N2O3/c14-10-6-4-9(5-7-10)12(16)15-8-2-1-3-11(15)13(17)18/h9-11H,1-8,14H2,(H,17,18)/t9?,10?,11-/m0/s1.
What are the key properties of (2S)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid?
(2S)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 66262956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).