cyclobutylmethyl (3S)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate

C14H23NO3 — CID 129356040

IUPACcyclobutylmethyl (3S)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
SMILESO=C(OCC1CCC1)N1CC[C@H](OCC2CC2)C1
InChIInChI=1S/C14H23NO3/c16-14(18-10-11-2-1-3-11)15-7-6-13(8-15)17-9-12-4-5-12/h11-13H,1-10H2/t13-/m0/s1
InChIKeyBPDPNQSFVJCRCP-ZDUSSCGKSA-N
MW253.34 g/mol
LogP2.42
Rot. Bonds5

About cyclobutylmethyl (3S)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate

cyclobutylmethyl (3S)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate (PubChem CID 129356040) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is cyclobutylmethyl (3S)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namecyclobutylmethyl (3S)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
PubChem CID129356040
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Namecyclobutylmethyl (3S)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
SMILESO=C(OCC1CCC1)N1CC[C@H](OCC2CC2)C1
InChIInChI=1S/C14H23NO3/c16-14(18-10-11-2-1-3-11)15-7-6-13(8-15)17-9-12-4-5-12/h11-13H,1-10H2/t13-/m0/s1
InChIKeyBPDPNQSFVJCRCP-ZDUSSCGKSA-N
XLogP2.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclobutylmethyl (3S)-3-(cyclopropylmethoxy)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

cyclobutylmethyl (3R)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
CID 129356038
benzyl (3R)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
CID 129379459
3-cyclopentyl-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]propan-1-one
CID 121197558
cyclohexylmethyl pyrrolidine-1-carboxylate
CID 85230627
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-morpholin-4-ylmethanone
CID 121197601
3-(cyclopropylmethoxy)-N-prop-2-enylpyrrolidine-1-carboxamide
CID 121197691
1-[3-(cyclopropylmethoxy)piperidin-1-yl]ethanone;ethane
CID 157038041
N-tert-butyl-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide
CID 121197654
3-(cyclopropylmethoxy)-N-propylpyrrolidine-1-carboxamide
CID 121197651
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-pyrrol-1-ylethanone
CID 121197489
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 129452854
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 129357459

Frequently Asked Questions

What is the IUPAC name of cyclobutylmethyl (3S)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate?
The IUPAC name of cyclobutylmethyl (3S)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate (CID 129356040) is cyclobutylmethyl (3S)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate.
What is the SMILES notation for cyclobutylmethyl (3S)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate?
The canonical SMILES for cyclobutylmethyl (3S)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate is O=C(OCC1CCC1)N1CC[C@H](OCC2CC2)C1.
What is the InChIKey of cyclobutylmethyl (3S)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate?
The InChIKey is BPDPNQSFVJCRCP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H23NO3/c16-14(18-10-11-2-1-3-11)15-7-6-13(8-15)17-9-12-4-5-12/h11-13H,1-10H2/t13-/m0/s1.
What are the key properties of cyclobutylmethyl (3S)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate?
cyclobutylmethyl (3S)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate has a molecular weight of 253.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutylmethyl (3S)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate is sourced from PubChem (CID 129356040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).