ethyl 2-(methoxymethyl)pyrrolidine-1-carboxylate

C9H17NO3 — CID 45120189

IUPACethyl 2-(methoxymethyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCCC1COC
InChIInChI=1S/C9H17NO3/c1-3-13-9(11)10-6-4-5-8(10)7-12-2/h8H,3-7H2,1-2H3
InChIKeyZCBDEBYJDRFQJB-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.25
Rot. Bonds3

About ethyl 2-(methoxymethyl)pyrrolidine-1-carboxylate

ethyl 2-(methoxymethyl)pyrrolidine-1-carboxylate (PubChem CID 45120189) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl 2-(methoxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(methoxymethyl)pyrrolidine-1-carboxylate
PubChem CID45120189
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethyl 2-(methoxymethyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCCC1COC
InChIInChI=1S/C9H17NO3/c1-3-13-9(11)10-6-4-5-8(10)7-12-2/h8H,3-7H2,1-2H3
InChIKeyZCBDEBYJDRFQJB-UHFFFAOYSA-N
XLogP1.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(methoxymethyl)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

N-(tert-Butoxycarbonyl)-D-prolinol
CID 688279
(S)-(-)-N-Boc-prolinol
CID 643448
tert-Butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 550865
[(2S)-1-methylpyrrolidin-2-yl]methyl carbamate
CID 72545089
(S)-(-)-2-(Methoxymethyl)-1-pyrrolidinecarboxaldehyde
CID 11579148
[(2S)-1,1-dimethylpyrrolidin-1-ium-2-yl]methyl carbamate
CID 72545098
(R)-(+)-2-(Methoxymethyl)-1-pyrrolidinecarboxaldehyde
CID 12349568
[(2S)-1-(carboxy)pyrrolidin-2-yl]methyl acetate
CID 58234715
Methyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 14044109
2-(Methoxymethyl)-1-pyrrolidinecarbaldehyde
CID 143952
(1-Acetylpyrrolidin-2-yl)methyl acetate
CID 297353
tert-butyl (S)-2-((aminooxy)methyl)pyrrolidine-1-carboxylate
CID 11218194

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methoxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of ethyl 2-(methoxymethyl)pyrrolidine-1-carboxylate (CID 45120189) is ethyl 2-(methoxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 2-(methoxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 2-(methoxymethyl)pyrrolidine-1-carboxylate is CCOC(=O)N1CCCC1COC.
What is the InChIKey of ethyl 2-(methoxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is ZCBDEBYJDRFQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-13-9(11)10-6-4-5-8(10)7-12-2/h8H,3-7H2,1-2H3.
What are the key properties of ethyl 2-(methoxymethyl)pyrrolidine-1-carboxylate?
ethyl 2-(methoxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 187.24 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methoxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 45120189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).