(3-aminocyclobutyl) pyrrolidine-1-carboxylate

C9H16N2O2 — CID 79346584

IUPAC(3-aminocyclobutyl) pyrrolidine-1-carboxylate
SMILESNC1CC(OC(=O)N2CCCC2)C1
InChIInChI=1S/C9H16N2O2/c10-7-5-8(6-7)13-9(12)11-3-1-2-4-11/h7-8H,1-6,10H2
InChIKeyIHTATHVDYGACQJ-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.71
Rot. Bonds1

About (3-aminocyclobutyl) pyrrolidine-1-carboxylate

(3-aminocyclobutyl) pyrrolidine-1-carboxylate (PubChem CID 79346584) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (3-aminocyclobutyl) pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name(3-aminocyclobutyl) pyrrolidine-1-carboxylate
PubChem CID79346584
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(3-aminocyclobutyl) pyrrolidine-1-carboxylate
SMILESNC1CC(OC(=O)N2CCCC2)C1
InChIInChI=1S/C9H16N2O2/c10-7-5-8(6-7)13-9(12)11-3-1-2-4-11/h7-8H,1-6,10H2
InChIKeyIHTATHVDYGACQJ-UHFFFAOYSA-N
XLogP0.71
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminocyclohexyl) pyrrolidine-1-carboxylate
CID 79465438
[(1R)-2-hydroxycyclopropyl] pyrrolidine-1-carboxylate
CID 175097234
[3-(aminomethyl)cyclobutyl] 3-methylpiperidine-1-carboxylate
CID 79346381
pyrrolidin-3-yl piperidine-1-carboxylate
CID 79337599
2-(3-aminocyclopentyl)oxy-1-(azepan-1-yl)propan-1-one
CID 79465466
(3-hydroxy-4-propan-2-ylcyclohexyl) piperidine-1-carboxylate
CID 171660390
N-(3-aminocyclobutyl)pyrrolidine-1-carboxamide
CID 79161437
2-(3-aminocyclopentyl)oxy-1-piperidin-1-ylethanone
CID 79464849
cyclohexylmethyl pyrrolidine-1-carboxylate
CID 85230627
[(1R,2S)-2-hydroxycyclopentyl] pyrrolidine-1-carboxylate
CID 101426040
2-cyclopropylethyl piperidine-1-carboxylate
CID 142778075
[(1R,2S)-2-hydroxycyclohexyl] pyrrolidine-1-carboxylate
CID 11424413

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclobutyl) pyrrolidine-1-carboxylate?
The IUPAC name of (3-aminocyclobutyl) pyrrolidine-1-carboxylate (CID 79346584) is (3-aminocyclobutyl) pyrrolidine-1-carboxylate.
What is the SMILES notation for (3-aminocyclobutyl) pyrrolidine-1-carboxylate?
The canonical SMILES for (3-aminocyclobutyl) pyrrolidine-1-carboxylate is NC1CC(OC(=O)N2CCCC2)C1.
What is the InChIKey of (3-aminocyclobutyl) pyrrolidine-1-carboxylate?
The InChIKey is IHTATHVDYGACQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-7-5-8(6-7)13-9(12)11-3-1-2-4-11/h7-8H,1-6,10H2.
What are the key properties of (3-aminocyclobutyl) pyrrolidine-1-carboxylate?
(3-aminocyclobutyl) pyrrolidine-1-carboxylate has a molecular weight of 184.24 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclobutyl) pyrrolidine-1-carboxylate is sourced from PubChem (CID 79346584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).