cyclopropylmethyl 4-methoxypyrrolidine-2-carboxylate

C10H17NO3 — CID 61151115

IUPACcyclopropylmethyl 4-methoxypyrrolidine-2-carboxylate
SMILESCOC1CNC(C(=O)OCC2CC2)C1
InChIInChI=1S/C10H17NO3/c1-13-8-4-9(11-5-8)10(12)14-6-7-2-3-7/h7-9,11H,2-6H2,1H3
InChIKeyNLLOPAKHJUXQOC-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.32
Rot. Bonds4

About cyclopropylmethyl 4-methoxypyrrolidine-2-carboxylate

cyclopropylmethyl 4-methoxypyrrolidine-2-carboxylate (PubChem CID 61151115) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is cyclopropylmethyl 4-methoxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl 4-methoxypyrrolidine-2-carboxylate
PubChem CID61151115
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namecyclopropylmethyl 4-methoxypyrrolidine-2-carboxylate
SMILESCOC1CNC(C(=O)OCC2CC2)C1
InChIInChI=1S/C10H17NO3/c1-13-8-4-9(11-5-8)10(12)14-6-7-2-3-7/h7-9,11H,2-6H2,1H3
InChIKeyNLLOPAKHJUXQOC-UHFFFAOYSA-N
XLogP0.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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 cyclopropylmethyl 4-methoxypyrrolidine-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 cyclopropylmethyl 4-methoxypyrrolidine-2-carboxylate?
The IUPAC name of cyclopropylmethyl 4-methoxypyrrolidine-2-carboxylate (CID 61151115) is cyclopropylmethyl 4-methoxypyrrolidine-2-carboxylate.
What is the SMILES notation for cyclopropylmethyl 4-methoxypyrrolidine-2-carboxylate?
The canonical SMILES for cyclopropylmethyl 4-methoxypyrrolidine-2-carboxylate is COC1CNC(C(=O)OCC2CC2)C1.
What is the InChIKey of cyclopropylmethyl 4-methoxypyrrolidine-2-carboxylate?
The InChIKey is NLLOPAKHJUXQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-13-8-4-9(11-5-8)10(12)14-6-7-2-3-7/h7-9,11H,2-6H2,1H3.
What are the key properties of cyclopropylmethyl 4-methoxypyrrolidine-2-carboxylate?
cyclopropylmethyl 4-methoxypyrrolidine-2-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 4-methoxypyrrolidine-2-carboxylate is sourced from PubChem (CID 61151115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).