1-(3-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid

C12H20N2O3 — CID 55148085

IUPAC1-(3-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
SMILESNC1CCCC(C(=O)N2CCCC2C(=O)O)C1
InChIInChI=1S/C12H20N2O3/c13-9-4-1-3-8(7-9)11(15)14-6-2-5-10(14)12(16)17/h8-10H,1-7,13H2,(H,16,17)
InChIKeyCKWGLHLNBNZZTG-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.58
Rot. Bonds2

About 1-(3-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid

1-(3-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 55148085) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(3-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
PubChem CID55148085
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-(3-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
SMILESNC1CCCC(C(=O)N2CCCC2C(=O)O)C1
InChIInChI=1S/C12H20N2O3/c13-9-4-1-3-8(7-9)11(15)14-6-2-5-10(14)12(16)17/h8-10H,1-7,13H2,(H,16,17)
InChIKeyCKWGLHLNBNZZTG-UHFFFAOYSA-N
XLogP0.58
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 61158042
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
1-(3-aminocyclohexanecarbonyl)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 119728127
(2R)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 79034818
(2S)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 66262956
(3-aminocyclohexyl)-(2-cyclobutylpyrrolidin-1-yl)methanone
CID 119765726
1-(cycloheptanecarbonyl)azepane-2-carboxylic acid
CID 64560695
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
(3-aminocyclohexyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 62777355
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-aminocyclohexyl)methanone;hydrochloride
CID 119686901

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid (CID 55148085) is 1-(3-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid is NC1CCCC(C(=O)N2CCCC2C(=O)O)C1.
What is the InChIKey of 1-(3-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is CKWGLHLNBNZZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c13-9-4-1-3-8(7-9)11(15)14-6-2-5-10(14)12(16)17/h8-10H,1-7,13H2,(H,16,17).
What are the key properties of 1-(3-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid?
1-(3-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 55148085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).