ethyl 2-(cyclopentylamino)-4-methyl-2-(2-methylpropyl)pentanoate

C17H33NO2 — CID 114868165

IUPACethyl 2-(cyclopentylamino)-4-methyl-2-(2-methylpropyl)pentanoate
SMILESCCOC(=O)C(CC(C)C)(CC(C)C)NC1CCCC1
InChIInChI=1S/C17H33NO2/c1-6-20-16(19)17(11-13(2)3,12-14(4)5)18-15-9-7-8-10-15/h13-15,18H,6-12H2,1-5H3
InChIKeyCAUOFFZRNLRJBF-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.91
Rot. Bonds8

About ethyl 2-(cyclopentylamino)-4-methyl-2-(2-methylpropyl)pentanoate

ethyl 2-(cyclopentylamino)-4-methyl-2-(2-methylpropyl)pentanoate (PubChem CID 114868165) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is ethyl 2-(cyclopentylamino)-4-methyl-2-(2-methylpropyl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopentylamino)-4-methyl-2-(2-methylpropyl)pentanoate
PubChem CID114868165
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Nameethyl 2-(cyclopentylamino)-4-methyl-2-(2-methylpropyl)pentanoate
SMILESCCOC(=O)C(CC(C)C)(CC(C)C)NC1CCCC1
InChIInChI=1S/C17H33NO2/c1-6-20-16(19)17(11-13(2)3,12-14(4)5)18-15-9-7-8-10-15/h13-15,18H,6-12H2,1-5H3
InChIKeyCAUOFFZRNLRJBF-UHFFFAOYSA-N
XLogP3.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(cyclopentylamino)-4-methyl-2-(2-methylpropyl)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-(cyclopropylamino)-2-ethyl-4-methylhexanoate
CID 60796428
ethyl 2-(cyclopentylamino)-2-methylbutanoate
CID 60997455
diethyl 2-cyclopentyl-2-(2-methylpropyl)propanedioate
CID 70189214
ethyl 2-(cyclopentylamino)-2-methylpentanoate
CID 60997340
ethyl (2S)-2-acetamido-2-ethyl-4-methylpentanoate
CID 12042577
ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)-4-methylpentanoate
CID 106488918
2-(cyclopentylamino)-2-ethyl-4-methylhexanamide
CID 54894558
diethyl 2-cyclohexyl-3-methyl-2-(2-methylpropyl)butanedioate
CID 174616353
ethyl 2-(aminomethyl)-2-(cyclobutylmethyl)-4-methylpentanoate
CID 106488952
ethyl 4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentanoate
CID 64704947
ethyl 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)propanoate
CID 60998776
ethyl 2-(cyclopentylamino)-2-phenylpropanoate
CID 54893875

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopentylamino)-4-methyl-2-(2-methylpropyl)pentanoate?
The IUPAC name of ethyl 2-(cyclopentylamino)-4-methyl-2-(2-methylpropyl)pentanoate (CID 114868165) is ethyl 2-(cyclopentylamino)-4-methyl-2-(2-methylpropyl)pentanoate.
What is the SMILES notation for ethyl 2-(cyclopentylamino)-4-methyl-2-(2-methylpropyl)pentanoate?
The canonical SMILES for ethyl 2-(cyclopentylamino)-4-methyl-2-(2-methylpropyl)pentanoate is CCOC(=O)C(CC(C)C)(CC(C)C)NC1CCCC1.
What is the InChIKey of ethyl 2-(cyclopentylamino)-4-methyl-2-(2-methylpropyl)pentanoate?
The InChIKey is CAUOFFZRNLRJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-6-20-16(19)17(11-13(2)3,12-14(4)5)18-15-9-7-8-10-15/h13-15,18H,6-12H2,1-5H3.
What are the key properties of ethyl 2-(cyclopentylamino)-4-methyl-2-(2-methylpropyl)pentanoate?
ethyl 2-(cyclopentylamino)-4-methyl-2-(2-methylpropyl)pentanoate has a molecular weight of 283.46 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopentylamino)-4-methyl-2-(2-methylpropyl)pentanoate is sourced from PubChem (CID 114868165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).