1-(4-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid

C12H20N2O3 — CID 61158042

IUPAC1-(4-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
SMILESNC1CCC(C(=O)N2CCCC2C(=O)O)CC1
InChIInChI=1S/C12H20N2O3/c13-9-5-3-8(4-6-9)11(15)14-7-1-2-10(14)12(16)17/h8-10H,1-7,13H2,(H,16,17)
InChIKeyXVQMOSAFGGWUSZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.58
Rot. Bonds2

About 1-(4-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid

1-(4-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 61158042) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(4-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
PubChem CID61158042
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-(4-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
SMILESNC1CCC(C(=O)N2CCCC2C(=O)O)CC1
InChIInChI=1S/C12H20N2O3/c13-9-5-3-8(4-6-9)11(15)14-7-1-2-10(14)12(16)17/h8-10H,1-7,13H2,(H,16,17)
InChIKeyXVQMOSAFGGWUSZ-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

(2S)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 66262956
(2R)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 79034818
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
1-(3-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 55148085
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
1-(cyclohept-4-ene-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 136558034
1-(oxane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 43209805
1-[4-(difluoromethyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid
CID 136556375
1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43355636

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid (CID 61158042) is 1-(4-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid is NC1CCC(C(=O)N2CCCC2C(=O)O)CC1.
What is the InChIKey of 1-(4-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is XVQMOSAFGGWUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c13-9-5-3-8(4-6-9)11(15)14-7-1-2-10(14)12(16)17/h8-10H,1-7,13H2,(H,16,17).
What are the key properties of 1-(4-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid?
1-(4-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-(4-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61158042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).