ethyl 2-(cyclopentylamino)-2-(2-methoxyphenyl)propanoate

C17H25NO3 — CID 60997682

IUPACethyl 2-(cyclopentylamino)-2-(2-methoxyphenyl)propanoate
SMILESCCOC(=O)C(C)(NC1CCCC1)c1ccccc1OC
InChIInChI=1S/C17H25NO3/c1-4-21-16(19)17(2,18-13-9-5-6-10-13)14-11-7-8-12-15(14)20-3/h7-8,11-13,18H,4-6,9-10H2,1-3H3
InChIKeyYIECVPKGRHITNB-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.01
Rot. Bonds6

About ethyl 2-(cyclopentylamino)-2-(2-methoxyphenyl)propanoate

ethyl 2-(cyclopentylamino)-2-(2-methoxyphenyl)propanoate (PubChem CID 60997682) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is ethyl 2-(cyclopentylamino)-2-(2-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopentylamino)-2-(2-methoxyphenyl)propanoate
PubChem CID60997682
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nameethyl 2-(cyclopentylamino)-2-(2-methoxyphenyl)propanoate
SMILESCCOC(=O)C(C)(NC1CCCC1)c1ccccc1OC
InChIInChI=1S/C17H25NO3/c1-4-21-16(19)17(2,18-13-9-5-6-10-13)14-11-7-8-12-15(14)20-3/h7-8,11-13,18H,4-6,9-10H2,1-3H3
InChIKeyYIECVPKGRHITNB-UHFFFAOYSA-N
XLogP3.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(cyclopentylamino)-2-(2-methoxyphenyl)propanoate 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

methyl 2-(cyclohexylamino)-2-(2-methoxyphenyl)propanoate
CID 60997593
ethyl 2-(cyclopentylamino)-2-(2-methylphenyl)propanoate
CID 60999013
ethyl 2-(2-bromophenyl)-2-(cyclopentylamino)propanoate
CID 60998155
ethyl 2-(cyclopropylamino)-2-(2-methoxy-5-methylphenyl)propanoate
CID 60796294
ethyl 2-(cyclopentylamino)-2-phenylpropanoate
CID 54893875
ethyl 2-(2-methoxyphenyl)-2-(propan-2-ylamino)propanoate
CID 54918153
ethyl 2-(2-chlorophenyl)-2-(cyclopropylamino)propanoate
CID 54918219
ethyl 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)propanoate
CID 60998776
ethyl 2-(cyclopentylamino)-2-(2,5-difluorophenyl)propanoate
CID 60997342
ethyl 2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 62214840
ethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 121014752
methyl 2-(cyclopentylamino)-2-(2-fluorophenyl)propanoate
CID 54894107

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopentylamino)-2-(2-methoxyphenyl)propanoate?
The IUPAC name of ethyl 2-(cyclopentylamino)-2-(2-methoxyphenyl)propanoate (CID 60997682) is ethyl 2-(cyclopentylamino)-2-(2-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 2-(cyclopentylamino)-2-(2-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 2-(cyclopentylamino)-2-(2-methoxyphenyl)propanoate is CCOC(=O)C(C)(NC1CCCC1)c1ccccc1OC.
What is the InChIKey of ethyl 2-(cyclopentylamino)-2-(2-methoxyphenyl)propanoate?
The InChIKey is YIECVPKGRHITNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-21-16(19)17(2,18-13-9-5-6-10-13)14-11-7-8-12-15(14)20-3/h7-8,11-13,18H,4-6,9-10H2,1-3H3.
What are the key properties of ethyl 2-(cyclopentylamino)-2-(2-methoxyphenyl)propanoate?
ethyl 2-(cyclopentylamino)-2-(2-methoxyphenyl)propanoate has a molecular weight of 291.39 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopentylamino)-2-(2-methoxyphenyl)propanoate is sourced from PubChem (CID 60997682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).