4-Isopropyl-pyrrolidine-3-carboxylic acid methyl ester

HCID 3570565

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 887344-14-1
Standard SMILES: COC(=O)C1CNCC1C(C)C
InChIKey: HDCVOOMNEULPRD-UHFFFAOYSA-N
Molecular formula: C9H17NO2
Average molar mass: 171.24 g/mol
Monoisotopic mass: 171.12592879

Names & identifiers

Preferred name: 4-Isopropyl-pyrrolidine-3-carboxylic acid methyl ester
IUPAC: methyl 4-propan-2-ylpyrrolidine-3-carboxylate

Names & synonyms

4-ISOPROPYL-PYRROLIDINE-3-CARBOXYLIC ACID METHYL ESTER887344-14-1SCHEMBL2450069DTXSID603937481334406-73-3MFCD04113631DB-358344Methyl 4-(propan-2-yl)pyrrolidine-3-carboxylateMETHYL 4-ISOPROPYLPYRROLIDINE-3-CARBOXYLATE

Database identifiers

CAS: 887344-14-1
PubChem CID: 3570565
DTXSID: DTXSID60393748

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 168

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…