methyl 2-[(2-oxooxolan-3-yl)methyl]pyrrolidine-1-carboxylate

C11H17NO4 — CID 11183756

IUPACmethyl 2-[(2-oxooxolan-3-yl)methyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCCC1CC1CCOC1=O
InChIInChI=1S/C11H17NO4/c1-15-11(14)12-5-2-3-9(12)7-8-4-6-16-10(8)13/h8-9H,2-7H2,1H3
InChIKeyQXAGIUIEDPAVEQ-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.17
Rot. Bonds2

About methyl 2-[(2-oxooxolan-3-yl)methyl]pyrrolidine-1-carboxylate

methyl 2-[(2-oxooxolan-3-yl)methyl]pyrrolidine-1-carboxylate (PubChem CID 11183756) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is methyl 2-[(2-oxooxolan-3-yl)methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-oxooxolan-3-yl)methyl]pyrrolidine-1-carboxylate
PubChem CID11183756
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Namemethyl 2-[(2-oxooxolan-3-yl)methyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCCC1CC1CCOC1=O
InChIInChI=1S/C11H17NO4/c1-15-11(14)12-5-2-3-9(12)7-8-4-6-16-10(8)13/h8-9H,2-7H2,1H3
InChIKeyQXAGIUIEDPAVEQ-UHFFFAOYSA-N
XLogP1.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(2-oxooxolan-3-yl)methyl]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

1-[4-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]butyl]pyrrolidin-2-one
CID 101518055
Tert-butyl 2-(4-ethoxy-4-oxobutan-2-yl)pyrrolidine-1-carboxylate
CID 10755571
Methyl 2-(3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
CID 102021667
tert-butyl (2S,3R,5R)-3,5-diethyl-2-[(2R)-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate
CID 134969659
Tert-butyl 2-(3-ethoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
CID 135007162
Methyl 2-[(2-oxooxan-3-yl)methyl]pyrrolidine-1-carboxylate
CID 164683729
Methyl 2-[2-methyl-3-(2-methylpropoxy)-3-oxopropyl]pyrrolidine-1-carboxylate
CID 164683858
Methyl 2-ethyl-6-methyl-4-(2-oxopyrrolidin-1-yl)octanoate
CID 54491033
ethyl 3-(3,5-dioxo-2,6,7,8-tetrahydro-1H-pyrrolizin-1-yl)propanoate
CID 70409024
2-methylpropyl 3-(3,5-dioxo-2,6,7,8-tetrahydro-1H-pyrrolizin-1-yl)propanoate
CID 70454945
1-Methyl-3-[(5-oxooxolan-2-yl)methyl]pyrrolidin-2-one
CID 90789478
2-(3-Butoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylic acid
CID 124108069

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-oxooxolan-3-yl)methyl]pyrrolidine-1-carboxylate?
The IUPAC name of methyl 2-[(2-oxooxolan-3-yl)methyl]pyrrolidine-1-carboxylate (CID 11183756) is methyl 2-[(2-oxooxolan-3-yl)methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 2-[(2-oxooxolan-3-yl)methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for methyl 2-[(2-oxooxolan-3-yl)methyl]pyrrolidine-1-carboxylate is COC(=O)N1CCCC1CC1CCOC1=O.
What is the InChIKey of methyl 2-[(2-oxooxolan-3-yl)methyl]pyrrolidine-1-carboxylate?
The InChIKey is QXAGIUIEDPAVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-15-11(14)12-5-2-3-9(12)7-8-4-6-16-10(8)13/h8-9H,2-7H2,1H3.
What are the key properties of methyl 2-[(2-oxooxolan-3-yl)methyl]pyrrolidine-1-carboxylate?
methyl 2-[(2-oxooxolan-3-yl)methyl]pyrrolidine-1-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-oxooxolan-3-yl)methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 11183756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).