[(3S)-pyrrolidin-3-yl] oxane-4-carboxylate

C10H17NO3 — CID 86319568

IUPAC[(3S)-pyrrolidin-3-yl] oxane-4-carboxylate
SMILESO=C(O[C@H]1CCNC1)C1CCOCC1
InChIInChI=1S/C10H17NO3/c12-10(8-2-5-13-6-3-8)14-9-1-4-11-7-9/h8-9,11H,1-7H2/t9-/m0/s1
InChIKeyBDOBMQXXTZITJS-VIFPVBQESA-N
MW199.25 g/mol
LogP0.32
Rot. Bonds2

About [(3S)-pyrrolidin-3-yl] oxane-4-carboxylate

[(3S)-pyrrolidin-3-yl] oxane-4-carboxylate (PubChem CID 86319568) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is [(3S)-pyrrolidin-3-yl] oxane-4-carboxylate.

Molecular Properties

Compound Name[(3S)-pyrrolidin-3-yl] oxane-4-carboxylate
PubChem CID86319568
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name[(3S)-pyrrolidin-3-yl] oxane-4-carboxylate
SMILESO=C(O[C@H]1CCNC1)C1CCOCC1
InChIInChI=1S/C10H17NO3/c12-10(8-2-5-13-6-3-8)14-9-1-4-11-7-9/h8-9,11H,1-7H2/t9-/m0/s1
InChIKeyBDOBMQXXTZITJS-VIFPVBQESA-N
XLogP0.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-pyrrolidin-3-yl] oxane-4-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

[(3S)-pyrrolidin-3-yl] (3S)-pyrrolidine-3-carboxylate
CID 140571611
cyclopropyl oxane-4-carboxylate
CID 23131614
piperidin-3-yl cyclopentanecarboxylate
CID 56829579
piperidin-3-yl cyclobutanecarboxylate;hydrochloride
CID 53409783
[(3R)-pyrrolidin-3-yl] morpholine-4-carboxylate
CID 124511796
[(3R)-pyrrolidin-3-yl] carbamate;hydrochloride
CID 67938211
cycloheptyl pyrrolidine-3-carboxylate
CID 63033044
N-[(3S)-pyrrolidin-3-yl]oxane-4-carboxamide
CID 79688091
pyrrolidin-3-yl 2,2,2-trichloroacetate;hydrochloride
CID 56829478
pyrrolidin-3-yl N,N-dimethylcarbamate
CID 54025595
pyrrolidin-3-yl propanoate
CID 53409832
pyrrolidin-3-yl piperidine-1-carboxylate
CID 79337599

Frequently Asked Questions

What is the IUPAC name of [(3S)-pyrrolidin-3-yl] oxane-4-carboxylate?
The IUPAC name of [(3S)-pyrrolidin-3-yl] oxane-4-carboxylate (CID 86319568) is [(3S)-pyrrolidin-3-yl] oxane-4-carboxylate.
What is the SMILES notation for [(3S)-pyrrolidin-3-yl] oxane-4-carboxylate?
The canonical SMILES for [(3S)-pyrrolidin-3-yl] oxane-4-carboxylate is O=C(O[C@H]1CCNC1)C1CCOCC1.
What is the InChIKey of [(3S)-pyrrolidin-3-yl] oxane-4-carboxylate?
The InChIKey is BDOBMQXXTZITJS-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17NO3/c12-10(8-2-5-13-6-3-8)14-9-1-4-11-7-9/h8-9,11H,1-7H2/t9-/m0/s1.
What are the key properties of [(3S)-pyrrolidin-3-yl] oxane-4-carboxylate?
[(3S)-pyrrolidin-3-yl] oxane-4-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-pyrrolidin-3-yl] oxane-4-carboxylate is sourced from PubChem (CID 86319568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).