ethyl 2-(cyclopentylamino)-2-phenylpropanoate

C16H23NO2 — CID 54893875

IUPACethyl 2-(cyclopentylamino)-2-phenylpropanoate
SMILESCCOC(=O)C(C)(NC1CCCC1)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-3-19-15(18)16(2,13-9-5-4-6-10-13)17-14-11-7-8-12-14/h4-6,9-10,14,17H,3,7-8,11-12H2,1-2H3
InChIKeyVUHNFUMCQMOWIL-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.00
Rot. Bonds5

About ethyl 2-(cyclopentylamino)-2-phenylpropanoate

ethyl 2-(cyclopentylamino)-2-phenylpropanoate (PubChem CID 54893875) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is ethyl 2-(cyclopentylamino)-2-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopentylamino)-2-phenylpropanoate
PubChem CID54893875
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nameethyl 2-(cyclopentylamino)-2-phenylpropanoate
SMILESCCOC(=O)C(C)(NC1CCCC1)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-3-19-15(18)16(2,13-9-5-4-6-10-13)17-14-11-7-8-12-14/h4-6,9-10,14,17H,3,7-8,11-12H2,1-2H3
InChIKeyVUHNFUMCQMOWIL-UHFFFAOYSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(cyclopentylamino)-2-(2-methylphenyl)propanoate
CID 60999013
ethyl 2-(2-bromophenyl)-2-(cyclopentylamino)propanoate
CID 60998155
ethyl 2-(cyclopentylamino)-2-(2-methoxyphenyl)propanoate
CID 60997682
2-(cycloheptylamino)-2-phenylpropanamide
CID 54892648
ethyl 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)propanoate
CID 60998776
ethyl 2-(2-chlorophenyl)-2-(cyclopropylamino)propanoate
CID 54918219
ethyl 2-(5-bromofuran-2-yl)-2-(cyclopentylamino)propanoate
CID 113437629
ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)propanoate
CID 64991309
ethyl 2-(cyclopentylamino)-2-(2,5-difluorophenyl)propanoate
CID 60997342
ethyl 2-(cyclopentylamino)-2-methylbutanoate
CID 60997455
2-(cyclopentylamino)-2-(4-ethoxyphenyl)propanamide
CID 60999099
ethyl 2-(1,3-benzodioxol-5-yl)-2-(cyclopropylamino)propanoate
CID 60796809

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopentylamino)-2-phenylpropanoate?
The IUPAC name of ethyl 2-(cyclopentylamino)-2-phenylpropanoate (CID 54893875) is ethyl 2-(cyclopentylamino)-2-phenylpropanoate.
What is the SMILES notation for ethyl 2-(cyclopentylamino)-2-phenylpropanoate?
The canonical SMILES for ethyl 2-(cyclopentylamino)-2-phenylpropanoate is CCOC(=O)C(C)(NC1CCCC1)c1ccccc1.
What is the InChIKey of ethyl 2-(cyclopentylamino)-2-phenylpropanoate?
The InChIKey is VUHNFUMCQMOWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-19-15(18)16(2,13-9-5-4-6-10-13)17-14-11-7-8-12-14/h4-6,9-10,14,17H,3,7-8,11-12H2,1-2H3.
What are the key properties of ethyl 2-(cyclopentylamino)-2-phenylpropanoate?
ethyl 2-(cyclopentylamino)-2-phenylpropanoate has a molecular weight of 261.37 g/mol, XLogP of 3.00, 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-phenylpropanoate is sourced from PubChem (CID 54893875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).