ethyl 2-(cyclopentylamino)-2-(2-methylphenyl)propanoate

C17H25NO2 — CID 60999013

IUPACethyl 2-(cyclopentylamino)-2-(2-methylphenyl)propanoate
SMILESCCOC(=O)C(C)(NC1CCCC1)c1ccccc1C
InChIInChI=1S/C17H25NO2/c1-4-20-16(19)17(3,18-14-10-6-7-11-14)15-12-8-5-9-13(15)2/h5,8-9,12,14,18H,4,6-7,10-11H2,1-3H3
InChIKeyFSAZGMQTOVJQLP-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.31
Rot. Bonds5

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

ethyl 2-(cyclopentylamino)-2-(2-methylphenyl)propanoate (PubChem CID 60999013) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is ethyl 2-(cyclopentylamino)-2-(2-methylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopentylamino)-2-(2-methylphenyl)propanoate
PubChem CID60999013
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nameethyl 2-(cyclopentylamino)-2-(2-methylphenyl)propanoate
SMILESCCOC(=O)C(C)(NC1CCCC1)c1ccccc1C
InChIInChI=1S/C17H25NO2/c1-4-20-16(19)17(3,18-14-10-6-7-11-14)15-12-8-5-9-13(15)2/h5,8-9,12,14,18H,4,6-7,10-11H2,1-3H3
InChIKeyFSAZGMQTOVJQLP-UHFFFAOYSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-bromophenyl)-2-(cyclopentylamino)propanoate
CID 60998155
ethyl 2-(cyclopentylamino)-2-(2-methoxyphenyl)propanoate
CID 60997682
ethyl 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)propanoate
CID 60998776
ethyl 2-(cyclopentylamino)-2-phenylpropanoate
CID 54893875
ethyl 2-(2-chlorophenyl)-2-(cyclopropylamino)propanoate
CID 54918219
ethyl 2-(cyclopentylamino)-2-(2,5-difluorophenyl)propanoate
CID 60997342
ethyl 2-(5-bromofuran-2-yl)-2-(cyclopentylamino)propanoate
CID 113437629
ethyl 2-(cyclopropylamino)-2-(2-methoxy-5-methylphenyl)propanoate
CID 60796294
methyl 2-(cyclopentylamino)-2-(2-fluorophenyl)propanoate
CID 54894107
ethyl 2-(cyclopentylamino)-2-methylbutanoate
CID 60997455
methyl 2-(cyclohexylamino)-2-(2-methoxyphenyl)propanoate
CID 60997593
ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)propanoate
CID 64991309

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopentylamino)-2-(2-methylphenyl)propanoate?
The IUPAC name of ethyl 2-(cyclopentylamino)-2-(2-methylphenyl)propanoate (CID 60999013) is ethyl 2-(cyclopentylamino)-2-(2-methylphenyl)propanoate.
What is the SMILES notation for ethyl 2-(cyclopentylamino)-2-(2-methylphenyl)propanoate?
The canonical SMILES for ethyl 2-(cyclopentylamino)-2-(2-methylphenyl)propanoate is CCOC(=O)C(C)(NC1CCCC1)c1ccccc1C.
What is the InChIKey of ethyl 2-(cyclopentylamino)-2-(2-methylphenyl)propanoate?
The InChIKey is FSAZGMQTOVJQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-20-16(19)17(3,18-14-10-6-7-11-14)15-12-8-5-9-13(15)2/h5,8-9,12,14,18H,4,6-7,10-11H2,1-3H3.
What are the key properties of ethyl 2-(cyclopentylamino)-2-(2-methylphenyl)propanoate?
ethyl 2-(cyclopentylamino)-2-(2-methylphenyl)propanoate has a molecular weight of 275.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopentylamino)-2-(2-methylphenyl)propanoate is sourced from PubChem (CID 60999013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).