ethyl 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylate

C13H25NO2 — CID 64516421

IUPACethyl 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NCC(C)C)CCC(C)C1
InChIInChI=1S/C13H25NO2/c1-5-16-12(15)13(14-9-10(2)3)7-6-11(4)8-13/h10-11,14H,5-9H2,1-4H3
InChIKeyVICAWMWUVVCRCK-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.35
Rot. Bonds5

About ethyl 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylate

ethyl 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylate (PubChem CID 64516421) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is ethyl 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylate
PubChem CID64516421
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nameethyl 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NCC(C)C)CCC(C)C1
InChIInChI=1S/C13H25NO2/c1-5-16-12(15)13(14-9-10(2)3)7-6-11(4)8-13/h10-11,14H,5-9H2,1-4H3
InChIKeyVICAWMWUVVCRCK-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-methyl-1-(2-methylpropylamino)cyclopentane-1-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

3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylic acid
CID 64516179
ethyl 1-(2-methoxyethylamino)-3-methylcyclopentane-1-carboxylate
CID 64516424
ethyl 4-methyl-1-(propylamino)cyclohexane-1-carboxylate
CID 60796516
ethyl 4-methyl-1-(propan-2-ylamino)cycloheptane-1-carboxylate
CID 65084789
ethyl 1-(cyclopropylmethylamino)-3-methylcyclobutane-1-carboxylate
CID 103563541
ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclopentane-1-carboxylate
CID 79649720
ethyl 1-(ethylamino)-3,5-dimethylcyclohexane-1-carboxylate
CID 64750726
ethyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79646666
ethyl 1-(ethylamino)-3-[methyl(propan-2-yl)amino]cyclopentane-1-carboxylate
CID 79650420
ethyl 3-(3-methylbutylsulfanyl)-1-(propylamino)cyclopentane-1-carboxylate
CID 107756248
ethyl 1-(ethylamino)-3-methylsulfanylcyclopentane-1-carboxylate
CID 79653865
ethyl 3,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate
CID 64751111

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylate (CID 64516421) is ethyl 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylate is CCOC(=O)C1(NCC(C)C)CCC(C)C1.
What is the InChIKey of ethyl 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylate?
The InChIKey is VICAWMWUVVCRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-16-12(15)13(14-9-10(2)3)7-6-11(4)8-13/h10-11,14H,5-9H2,1-4H3.
What are the key properties of ethyl 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylate?
ethyl 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylate has a molecular weight of 227.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 64516421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).