ethyl 2-[cyclopentyl(3-methylbutyl)amino]pentanoate

C17H33NO2 — CID 83049195

IUPACethyl 2-[cyclopentyl(3-methylbutyl)amino]pentanoate
SMILESCCCC(C(=O)OCC)N(CCC(C)C)C1CCCC1
InChIInChI=1S/C17H33NO2/c1-5-9-16(17(19)20-6-2)18(13-12-14(3)4)15-10-7-8-11-15/h14-16H,5-13H2,1-4H3
InChIKeyBGCFTMJWSAJFMK-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.01
Rot. Bonds9

About ethyl 2-[cyclopentyl(3-methylbutyl)amino]pentanoate

ethyl 2-[cyclopentyl(3-methylbutyl)amino]pentanoate (PubChem CID 83049195) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is ethyl 2-[cyclopentyl(3-methylbutyl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[cyclopentyl(3-methylbutyl)amino]pentanoate
PubChem CID83049195
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Nameethyl 2-[cyclopentyl(3-methylbutyl)amino]pentanoate
SMILESCCCC(C(=O)OCC)N(CCC(C)C)C1CCCC1
InChIInChI=1S/C17H33NO2/c1-5-9-16(17(19)20-6-2)18(13-12-14(3)4)15-10-7-8-11-15/h14-16H,5-13H2,1-4H3
InChIKeyBGCFTMJWSAJFMK-UHFFFAOYSA-N
XLogP4.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[cyclopentyl(3-methylbutyl)amino]pentanoate 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

ethyl 2-[cyanomethyl(cyclopentyl)amino]pentanoate
CID 83040934
2-[cyclopentyl(2-methylpropyl)amino]pentanoic acid
CID 83048898
ethyl 2-[cyclopropyl(2-methylpropyl)amino]butanoate
CID 64661063
(2R)-2-amino-N-cyclopentyl-N-(3-methylbutyl)pentanamide
CID 103795443
ethyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]pentanoate
CID 83050233
N-cyclopentyl-N-(3-methylbutyl)-2-propoxyacetamide
CID 113227391
methyl 2-[cyclopropyl(3-methylbutyl)amino]propanoate
CID 78976556
2-[cyclohexyl(ethyl)amino]pentanoic acid
CID 83040857
methyl 2-[cyclobutyl(2-hydroxyethyl)amino]hexanoate
CID 102863957
ethyl 2-[azepan-4-yl(methyl)amino]pentanoate
CID 107173439
ethyl 3-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propanoate
CID 78977501
2-[cyclopropyl(2-methylpropyl)amino]pentanehydrazide
CID 83048058

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopentyl(3-methylbutyl)amino]pentanoate?
The IUPAC name of ethyl 2-[cyclopentyl(3-methylbutyl)amino]pentanoate (CID 83049195) is ethyl 2-[cyclopentyl(3-methylbutyl)amino]pentanoate.
What is the SMILES notation for ethyl 2-[cyclopentyl(3-methylbutyl)amino]pentanoate?
The canonical SMILES for ethyl 2-[cyclopentyl(3-methylbutyl)amino]pentanoate is CCCC(C(=O)OCC)N(CCC(C)C)C1CCCC1.
What is the InChIKey of ethyl 2-[cyclopentyl(3-methylbutyl)amino]pentanoate?
The InChIKey is BGCFTMJWSAJFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-5-9-16(17(19)20-6-2)18(13-12-14(3)4)15-10-7-8-11-15/h14-16H,5-13H2,1-4H3.
What are the key properties of ethyl 2-[cyclopentyl(3-methylbutyl)amino]pentanoate?
ethyl 2-[cyclopentyl(3-methylbutyl)amino]pentanoate has a molecular weight of 283.46 g/mol, XLogP of 4.01, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopentyl(3-methylbutyl)amino]pentanoate is sourced from PubChem (CID 83049195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).