4-methylpentyl 3-ethylpyrrolidine-3-carboxylate

C13H25NO2 — CID 63144993

IUPAC4-methylpentyl 3-ethylpyrrolidine-3-carboxylate
SMILESCCC1(C(=O)OCCCC(C)C)CCNC1
InChIInChI=1S/C13H25NO2/c1-4-13(7-8-14-10-13)12(15)16-9-5-6-11(2)3/h11,14H,4-10H2,1-3H3
InChIKeyDBRVICVERNKDAR-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.36
Rot. Bonds6

About 4-methylpentyl 3-ethylpyrrolidine-3-carboxylate

4-methylpentyl 3-ethylpyrrolidine-3-carboxylate (PubChem CID 63144993) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-methylpentyl 3-ethylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Name4-methylpentyl 3-ethylpyrrolidine-3-carboxylate
PubChem CID63144993
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name4-methylpentyl 3-ethylpyrrolidine-3-carboxylate
SMILESCCC1(C(=O)OCCCC(C)C)CCNC1
InChIInChI=1S/C13H25NO2/c1-4-13(7-8-14-10-13)12(15)16-9-5-6-11(2)3/h11,14H,4-10H2,1-3H3
InChIKeyDBRVICVERNKDAR-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methylpentyl 3-ethylpyrrolidine-3-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

2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-ethylpyrrolidine-3-carboxylate
CID 104562939
2-methylpropyl 3-ethylpiperidine-3-carboxylate
CID 63137680
3-methylbutyl 4-propylpiperidine-4-carboxylate
CID 63125909
propyl 4-ethylpiperidine-4-carboxylate
CID 63125915
1-(3-ethylpyrrolidin-3-yl)-2-methylbutan-1-one
CID 116570206
2-ethoxyethyl 3-ethylpiperidine-3-carboxylate
CID 63137981
4-methylpentyl 2-methylpiperidine-2-carboxylate
CID 104597728
benzyl 3-ethylpyrrolidine-3-carboxylate
CID 63145292
3-ethyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 63144055
1-(4-ethylpiperidin-4-yl)-4-methylpentan-1-one
CID 116567943
4-methylpentyl 1-aminocyclobutane-1-carboxylate
CID 81160956
2-propoxyethyl 4-ethylpiperidine-4-carboxylate
CID 63686530

Frequently Asked Questions

What is the IUPAC name of 4-methylpentyl 3-ethylpyrrolidine-3-carboxylate?
The IUPAC name of 4-methylpentyl 3-ethylpyrrolidine-3-carboxylate (CID 63144993) is 4-methylpentyl 3-ethylpyrrolidine-3-carboxylate.
What is the SMILES notation for 4-methylpentyl 3-ethylpyrrolidine-3-carboxylate?
The canonical SMILES for 4-methylpentyl 3-ethylpyrrolidine-3-carboxylate is CCC1(C(=O)OCCCC(C)C)CCNC1.
What is the InChIKey of 4-methylpentyl 3-ethylpyrrolidine-3-carboxylate?
The InChIKey is DBRVICVERNKDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-13(7-8-14-10-13)12(15)16-9-5-6-11(2)3/h11,14H,4-10H2,1-3H3.
What are the key properties of 4-methylpentyl 3-ethylpyrrolidine-3-carboxylate?
4-methylpentyl 3-ethylpyrrolidine-3-carboxylate has a molecular weight of 227.35 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentyl 3-ethylpyrrolidine-3-carboxylate is sourced from PubChem (CID 63144993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).