methyl 4-(oxolan-2-yl)pyrrolidine-2-carboxylate

C10H17NO3 — CID 117269978

IUPACmethyl 4-(oxolan-2-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(C2CCCO2)CN1
InChIInChI=1S/C10H17NO3/c1-13-10(12)8-5-7(6-11-8)9-3-2-4-14-9/h7-9,11H,2-6H2,1H3
InChIKeySGJYXBWTUQFGOA-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.32
Rot. Bonds2

About methyl 4-(oxolan-2-yl)pyrrolidine-2-carboxylate

methyl 4-(oxolan-2-yl)pyrrolidine-2-carboxylate (PubChem CID 117269978) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl 4-(oxolan-2-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(oxolan-2-yl)pyrrolidine-2-carboxylate
PubChem CID117269978
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl 4-(oxolan-2-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(C2CCCO2)CN1
InChIInChI=1S/C10H17NO3/c1-13-10(12)8-5-7(6-11-8)9-3-2-4-14-9/h7-9,11H,2-6H2,1H3
InChIKeySGJYXBWTUQFGOA-UHFFFAOYSA-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 methyl 4-(oxolan-2-yl)pyrrolidine-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-(oxolan-2-yl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-(oxolan-2-yl)pyrrolidine-2-carboxylate (CID 117269978) is methyl 4-(oxolan-2-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-(oxolan-2-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-(oxolan-2-yl)pyrrolidine-2-carboxylate is COC(=O)C1CC(C2CCCO2)CN1.
What is the InChIKey of methyl 4-(oxolan-2-yl)pyrrolidine-2-carboxylate?
The InChIKey is SGJYXBWTUQFGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-13-10(12)8-5-7(6-11-8)9-3-2-4-14-9/h7-9,11H,2-6H2,1H3.
What are the key properties of methyl 4-(oxolan-2-yl)pyrrolidine-2-carboxylate?
methyl 4-(oxolan-2-yl)pyrrolidine-2-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 methyl 4-(oxolan-2-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 117269978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).