ethyl 4-[(2,3-dimethylcyclopentyl)amino]-4-oxobutanoate

C13H23NO3 — CID 64907131

IUPACethyl 4-[(2,3-dimethylcyclopentyl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NC1CCC(C)C1C
InChIInChI=1S/C13H23NO3/c1-4-17-13(16)8-7-12(15)14-11-6-5-9(2)10(11)3/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyHARYCXYMAULIBB-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.88
Rot. Bonds5

About ethyl 4-[(2,3-dimethylcyclopentyl)amino]-4-oxobutanoate

ethyl 4-[(2,3-dimethylcyclopentyl)amino]-4-oxobutanoate (PubChem CID 64907131) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is ethyl 4-[(2,3-dimethylcyclopentyl)amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[(2,3-dimethylcyclopentyl)amino]-4-oxobutanoate
PubChem CID64907131
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameethyl 4-[(2,3-dimethylcyclopentyl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NC1CCC(C)C1C
InChIInChI=1S/C13H23NO3/c1-4-17-13(16)8-7-12(15)14-11-6-5-9(2)10(11)3/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyHARYCXYMAULIBB-UHFFFAOYSA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-[(2,3-dimethylcyclopentyl)amino]-4-oxobutanoate 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

N-(2,3-dimethylcyclopentyl)butanamide
CID 64922483
N-(2,3-dimethylcyclopentyl)-3-sulfanylpropanamide
CID 107031074
tert-butyl 4-[(2,3-dimethylcyclohexyl)amino]-4-oxobutanoate
CID 106706973
cis-(1R,3S)-3-[(4-ethoxy-4-oxobutanoyl)amino]cyclopentane-1-carboxylic acid
CID 106320773
ethyl 4-[(2-ethylsulfanylcyclopentyl)amino]-4-oxobutanoate
CID 113249263
N-(2,3-dimethylcyclopentyl)-3-(propan-2-ylamino)propanamide
CID 64907400
ethyl 4-[(4-carbamoylcyclohexyl)amino]-4-oxobutanoate
CID 60728078
methyl 2-[[4-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-4-oxobutanoyl]amino]acetate
CID 7299825
ethyl 4-[(1-cyclopropylpiperidin-4-yl)amino]-4-oxobutanoate
CID 60730732
1-(2,3-dimethylcyclopentyl)-3-ethylurea
CID 116656362
N-(2,3-dimethylcyclopentyl)acetamide
CID 64922482
ethyl 4-oxo-4-[(1-propan-2-ylpiperidin-4-yl)amino]butanoate
CID 60669009

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2,3-dimethylcyclopentyl)amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[(2,3-dimethylcyclopentyl)amino]-4-oxobutanoate (CID 64907131) is ethyl 4-[(2,3-dimethylcyclopentyl)amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[(2,3-dimethylcyclopentyl)amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[(2,3-dimethylcyclopentyl)amino]-4-oxobutanoate is CCOC(=O)CCC(=O)NC1CCC(C)C1C.
What is the InChIKey of ethyl 4-[(2,3-dimethylcyclopentyl)amino]-4-oxobutanoate?
The InChIKey is HARYCXYMAULIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-17-13(16)8-7-12(15)14-11-6-5-9(2)10(11)3/h9-11H,4-8H2,1-3H3,(H,14,15).
What are the key properties of ethyl 4-[(2,3-dimethylcyclopentyl)amino]-4-oxobutanoate?
ethyl 4-[(2,3-dimethylcyclopentyl)amino]-4-oxobutanoate has a molecular weight of 241.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2,3-dimethylcyclopentyl)amino]-4-oxobutanoate is sourced from PubChem (CID 64907131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).