[(3S)-pyrrolidin-3-yl] (3S)-pyrrolidine-3-carboxylate

C9H16N2O2 — CID 140571611

IUPAC[(3S)-pyrrolidin-3-yl] (3S)-pyrrolidine-3-carboxylate
SMILESO=C(O[C@H]1CCNC1)[C@H]1CCNC1
InChIInChI=1S/C9H16N2O2/c12-9(7-1-3-10-5-7)13-8-2-4-11-6-8/h7-8,10-11H,1-6H2/t7-,8-/m0/s1
InChIKeyURPPIYBSYUIXBY-YUMQZZPRSA-N
MW184.24 g/mol
LogP-0.50
Rot. Bonds2

About [(3S)-pyrrolidin-3-yl] (3S)-pyrrolidine-3-carboxylate

[(3S)-pyrrolidin-3-yl] (3S)-pyrrolidine-3-carboxylate (PubChem CID 140571611) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is [(3S)-pyrrolidin-3-yl] (3S)-pyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[(3S)-pyrrolidin-3-yl] (3S)-pyrrolidine-3-carboxylate
PubChem CID140571611
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name[(3S)-pyrrolidin-3-yl] (3S)-pyrrolidine-3-carboxylate
SMILESO=C(O[C@H]1CCNC1)[C@H]1CCNC1
InChIInChI=1S/C9H16N2O2/c12-9(7-1-3-10-5-7)13-8-2-4-11-6-8/h7-8,10-11H,1-6H2/t7-,8-/m0/s1
InChIKeyURPPIYBSYUIXBY-YUMQZZPRSA-N
XLogP-0.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(3S)-pyrrolidin-3-yl] (3S)-pyrrolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cycloheptyl pyrrolidine-3-carboxylate
CID 63033044
[(3S)-pyrrolidin-3-yl] oxane-4-carboxylate
CID 86319568
cyclopentyl piperidine-3-carboxylate
CID 61278605
piperidin-3-yl cyclopentanecarboxylate
CID 56829579
cyclohexyl (3S)-piperidine-3-carboxylate
CID 81126068
piperidin-3-yl cyclobutanecarboxylate;hydrochloride
CID 53409783
methyl pyrrolidine-3-carboxylate
CID 4114360
[(3R)-pyrrolidin-3-yl] carbamate;hydrochloride
CID 67938211
pyrrolidin-3-yl 2,2,2-trichloroacetate;hydrochloride
CID 56829478
pyrrolidin-3-yl N,N-dimethylcarbamate
CID 54025595
tert-butyl pyrrolidine-3-carboxylate;hydrochloride
CID 86346376
ethyl (3R)-pyrrolidine-3-carboxylate
CID 53488454

Frequently Asked Questions

What is the IUPAC name of [(3S)-pyrrolidin-3-yl] (3S)-pyrrolidine-3-carboxylate?
The IUPAC name of [(3S)-pyrrolidin-3-yl] (3S)-pyrrolidine-3-carboxylate (CID 140571611) is [(3S)-pyrrolidin-3-yl] (3S)-pyrrolidine-3-carboxylate.
What is the SMILES notation for [(3S)-pyrrolidin-3-yl] (3S)-pyrrolidine-3-carboxylate?
The canonical SMILES for [(3S)-pyrrolidin-3-yl] (3S)-pyrrolidine-3-carboxylate is O=C(O[C@H]1CCNC1)[C@H]1CCNC1.
What is the InChIKey of [(3S)-pyrrolidin-3-yl] (3S)-pyrrolidine-3-carboxylate?
The InChIKey is URPPIYBSYUIXBY-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-9(7-1-3-10-5-7)13-8-2-4-11-6-8/h7-8,10-11H,1-6H2/t7-,8-/m0/s1.
What are the key properties of [(3S)-pyrrolidin-3-yl] (3S)-pyrrolidine-3-carboxylate?
[(3S)-pyrrolidin-3-yl] (3S)-pyrrolidine-3-carboxylate has a molecular weight of 184.24 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-pyrrolidin-3-yl] (3S)-pyrrolidine-3-carboxylate is sourced from PubChem (CID 140571611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).