[(3R)-oxolan-3-yl] (3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate

C14H20N4O3 — CID 129356653

IUPAC[(3R)-oxolan-3-yl] (3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate
SMILESO=C(O[C@@H]1CCOC1)N1CC[C@H](n2cc(C3CC3)nn2)C1
InChIInChI=1S/C14H20N4O3/c19-14(21-12-4-6-20-9-12)17-5-3-11(7-17)18-8-13(15-16-18)10-1-2-10/h8,10-12H,1-7,9H2/t11-,12+/m0/s1
InChIKeyGKHWWWLUQSJVCZ-NWDGAFQWSA-N
MW292.34 g/mol
LogP1.33
Rot. Bonds3

About [(3R)-oxolan-3-yl] (3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate

[(3R)-oxolan-3-yl] (3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate (PubChem CID 129356653) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is [(3R)-oxolan-3-yl] (3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[(3R)-oxolan-3-yl] (3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate
PubChem CID129356653
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name[(3R)-oxolan-3-yl] (3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate
SMILESO=C(O[C@@H]1CCOC1)N1CC[C@H](n2cc(C3CC3)nn2)C1
InChIInChI=1S/C14H20N4O3/c19-14(21-12-4-6-20-9-12)17-5-3-11(7-17)18-8-13(15-16-18)10-1-2-10/h8,10-12H,1-7,9H2/t11-,12+/m0/s1
InChIKeyGKHWWWLUQSJVCZ-NWDGAFQWSA-N
XLogP1.33
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3R)-oxolan-3-yl] (3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-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)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 129354702
3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 146082322
[1-(1,3-thiazol-2-yl)piperidin-4-yl] 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate
CID 121190658
cyclobutylmethyl 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate
CID 121190670
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 121190579
2-cyclopentyl-1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone
CID 121021120
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 121190589
(5-bromofuran-2-yl)-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 124761305
[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl] 3-(4-cyclopropyltriazol-1-yl)azetidine-1-carboxylate
CID 121190187
3-(4-cyclopropyltriazol-1-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 121190717
oxolan-3-yl 4-pyrimidin-2-ylpiperidine-1-carboxylate
CID 154786047
4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 121190686

Frequently Asked Questions

What is the IUPAC name of [(3R)-oxolan-3-yl] (3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate?
The IUPAC name of [(3R)-oxolan-3-yl] (3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate (CID 129356653) is [(3R)-oxolan-3-yl] (3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for [(3R)-oxolan-3-yl] (3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for [(3R)-oxolan-3-yl] (3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate is O=C(O[C@@H]1CCOC1)N1CC[C@H](n2cc(C3CC3)nn2)C1.
What is the InChIKey of [(3R)-oxolan-3-yl] (3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate?
The InChIKey is GKHWWWLUQSJVCZ-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H20N4O3/c19-14(21-12-4-6-20-9-12)17-5-3-11(7-17)18-8-13(15-16-18)10-1-2-10/h8,10-12H,1-7,9H2/t11-,12+/m0/s1.
What are the key properties of [(3R)-oxolan-3-yl] (3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate?
[(3R)-oxolan-3-yl] (3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate has a molecular weight of 292.34 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-oxolan-3-yl] (3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 129356653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).