ethyl 2-(cyclopentylamino)-2-(2,5-difluorophenyl)propanoate

C16H21F2NO2 — CID 60997342

IUPACethyl 2-(cyclopentylamino)-2-(2,5-difluorophenyl)propanoate
SMILESCCOC(=O)C(C)(NC1CCCC1)c1cc(F)ccc1F
InChIInChI=1S/C16H21F2NO2/c1-3-21-15(20)16(2,19-12-6-4-5-7-12)13-10-11(17)8-9-14(13)18/h8-10,12,19H,3-7H2,1-2H3
InChIKeyOBYLLOTYOUOEIF-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.28
Rot. Bonds5

About ethyl 2-(cyclopentylamino)-2-(2,5-difluorophenyl)propanoate

ethyl 2-(cyclopentylamino)-2-(2,5-difluorophenyl)propanoate (PubChem CID 60997342) has the molecular formula C16H21F2NO2 and a molecular weight of 297.35 g/mol. Its IUPAC name is ethyl 2-(cyclopentylamino)-2-(2,5-difluorophenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopentylamino)-2-(2,5-difluorophenyl)propanoate
PubChem CID60997342
Molecular FormulaC16H21F2NO2
Molecular Weight297.35 g/mol
Exact Mass297.15
IUPAC Nameethyl 2-(cyclopentylamino)-2-(2,5-difluorophenyl)propanoate
SMILESCCOC(=O)C(C)(NC1CCCC1)c1cc(F)ccc1F
InChIInChI=1S/C16H21F2NO2/c1-3-21-15(20)16(2,19-12-6-4-5-7-12)13-10-11(17)8-9-14(13)18/h8-10,12,19H,3-7H2,1-2H3
InChIKeyOBYLLOTYOUOEIF-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)propanoate
CID 60998776
ethyl 2-(cyclopentylamino)-2-(2-methylphenyl)propanoate
CID 60999013
ethyl 2-(cyclopentylamino)-2-(2-methoxyphenyl)propanoate
CID 60997682
ethyl 2-(2-bromophenyl)-2-(cyclopentylamino)propanoate
CID 60998155
ethyl 2-(cyclopropylamino)-2-(5-fluoro-2-pyridinyl)propanoate
CID 83120217
ethyl 2-(cyclopentylamino)-2-phenylpropanoate
CID 54893875
2-(cycloheptylamino)-2-(2,4-difluorophenyl)propanamide
CID 60997602
ethyl 2-(cyclopropylamino)-2-(2-methoxy-5-methylphenyl)propanoate
CID 60796294
methyl 2-(cyclopentylamino)-2-(2-fluorophenyl)propanoate
CID 54894107
ethyl 2-(2-chlorophenyl)-2-(cyclopropylamino)propanoate
CID 54918219
ethyl 2-(5-bromofuran-2-yl)-2-(cyclopentylamino)propanoate
CID 113437629
ethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)butanoate
CID 114871991

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopentylamino)-2-(2,5-difluorophenyl)propanoate?
The IUPAC name of ethyl 2-(cyclopentylamino)-2-(2,5-difluorophenyl)propanoate (CID 60997342) is ethyl 2-(cyclopentylamino)-2-(2,5-difluorophenyl)propanoate.
What is the SMILES notation for ethyl 2-(cyclopentylamino)-2-(2,5-difluorophenyl)propanoate?
The canonical SMILES for ethyl 2-(cyclopentylamino)-2-(2,5-difluorophenyl)propanoate is CCOC(=O)C(C)(NC1CCCC1)c1cc(F)ccc1F.
What is the InChIKey of ethyl 2-(cyclopentylamino)-2-(2,5-difluorophenyl)propanoate?
The InChIKey is OBYLLOTYOUOEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO2/c1-3-21-15(20)16(2,19-12-6-4-5-7-12)13-10-11(17)8-9-14(13)18/h8-10,12,19H,3-7H2,1-2H3.
What are the key properties of ethyl 2-(cyclopentylamino)-2-(2,5-difluorophenyl)propanoate?
ethyl 2-(cyclopentylamino)-2-(2,5-difluorophenyl)propanoate has a molecular weight of 297.35 g/mol, XLogP of 3.28, 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-(2,5-difluorophenyl)propanoate is sourced from PubChem (CID 60997342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).