(3-aminocyclohexyl) pyrrolidine-1-carboxylate

C11H20N2O2 — CID 79465438

IUPAC(3-aminocyclohexyl) pyrrolidine-1-carboxylate
SMILESNC1CCCC(OC(=O)N2CCCC2)C1
InChIInChI=1S/C11H20N2O2/c12-9-4-3-5-10(8-9)15-11(14)13-6-1-2-7-13/h9-10H,1-8,12H2
InChIKeyBSNSWHGYACNBSO-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.49
Rot. Bonds1

About (3-aminocyclohexyl) pyrrolidine-1-carboxylate

(3-aminocyclohexyl) pyrrolidine-1-carboxylate (PubChem CID 79465438) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (3-aminocyclohexyl) pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name(3-aminocyclohexyl) pyrrolidine-1-carboxylate
PubChem CID79465438
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(3-aminocyclohexyl) pyrrolidine-1-carboxylate
SMILESNC1CCCC(OC(=O)N2CCCC2)C1
InChIInChI=1S/C11H20N2O2/c12-9-4-3-5-10(8-9)15-11(14)13-6-1-2-7-13/h9-10H,1-8,12H2
InChIKeyBSNSWHGYACNBSO-UHFFFAOYSA-N
XLogP1.49
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminocyclobutyl) pyrrolidine-1-carboxylate
CID 79346584
cyclobutyl 4-methylpiperazine-1-carboxylate
CID 131024600
(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669540
cyclobutyl 3-aminocyclopentane-1-carboxylate
CID 66031804
(3-hydroxy-4-propan-2-ylcyclohexyl) piperidine-1-carboxylate
CID 171660390
[(1R)-2-hydroxycyclopropyl] pyrrolidine-1-carboxylate
CID 175097234
2-(3-aminocyclopentyl)oxy-1-piperidin-1-ylethanone
CID 79464849
[(1R,2S)-2-hydroxycyclopentyl] pyrrolidine-1-carboxylate
CID 101426040
pyrrolidin-3-yl piperidine-1-carboxylate
CID 79337599
bis[(1R,3S)-3-aminocyclopentyl] 2,3-dihydroxybutanedioate
CID 175006721
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl) pyrrolidine-1-carboxylate?
The IUPAC name of (3-aminocyclohexyl) pyrrolidine-1-carboxylate (CID 79465438) is (3-aminocyclohexyl) pyrrolidine-1-carboxylate.
What is the SMILES notation for (3-aminocyclohexyl) pyrrolidine-1-carboxylate?
The canonical SMILES for (3-aminocyclohexyl) pyrrolidine-1-carboxylate is NC1CCCC(OC(=O)N2CCCC2)C1.
What is the InChIKey of (3-aminocyclohexyl) pyrrolidine-1-carboxylate?
The InChIKey is BSNSWHGYACNBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c12-9-4-3-5-10(8-9)15-11(14)13-6-1-2-7-13/h9-10H,1-8,12H2.
What are the key properties of (3-aminocyclohexyl) pyrrolidine-1-carboxylate?
(3-aminocyclohexyl) pyrrolidine-1-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl) pyrrolidine-1-carboxylate is sourced from PubChem (CID 79465438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).