methyl 2-(cyclopentylamino)-2-(2-fluorophenyl)propanoate

C15H20FNO2 — CID 54894107

IUPACmethyl 2-(cyclopentylamino)-2-(2-fluorophenyl)propanoate
SMILESCOC(=O)C(C)(NC1CCCC1)c1ccccc1F
InChIInChI=1S/C15H20FNO2/c1-15(14(18)19-2,17-11-7-3-4-8-11)12-9-5-6-10-13(12)16/h5-6,9-11,17H,3-4,7-8H2,1-2H3
InChIKeyYELXZPTVEGFEEI-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.75
Rot. Bonds4

About methyl 2-(cyclopentylamino)-2-(2-fluorophenyl)propanoate

methyl 2-(cyclopentylamino)-2-(2-fluorophenyl)propanoate (PubChem CID 54894107) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is methyl 2-(cyclopentylamino)-2-(2-fluorophenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopentylamino)-2-(2-fluorophenyl)propanoate
PubChem CID54894107
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Namemethyl 2-(cyclopentylamino)-2-(2-fluorophenyl)propanoate
SMILESCOC(=O)C(C)(NC1CCCC1)c1ccccc1F
InChIInChI=1S/C15H20FNO2/c1-15(14(18)19-2,17-11-7-3-4-8-11)12-9-5-6-10-13(12)16/h5-6,9-11,17H,3-4,7-8H2,1-2H3
InChIKeyYELXZPTVEGFEEI-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclobutylamino)-2-(2-fluorophenyl)propanoic acid
CID 115001938
methyl 2-(cyclohexylamino)-2-(2-methoxyphenyl)propanoate
CID 60997593
methyl 2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)propanoate
CID 60998641
methyl 2-(2-fluorophenyl)-2-(propylamino)propanoate
CID 60796122
methyl 2-(cyclopentylamino)-2-(3-hydroxyphenyl)propanoate
CID 54893864
ethyl 2-(cyclopentylamino)-2-(2-methylphenyl)propanoate
CID 60999013
methyl 2-(cyclopentylamino)-2-(3-methoxyphenyl)propanoate
CID 60998640
ethyl 2-(cyclopentylamino)-2-(2-methoxyphenyl)propanoate
CID 60997682
methyl 2-(3-bromophenyl)-2-(cyclohexylamino)propanoate
CID 60997710
ethyl 2-(cyclopentylamino)-2-(2,5-difluorophenyl)propanoate
CID 60997342
2-(cyclopentylamino)-2-[2-(trifluoromethyl)phenyl]propanoic acid
CID 61002717
methyl 2-(2-fluorophenyl)-2-(prop-2-ynylamino)propanoate
CID 62367199

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopentylamino)-2-(2-fluorophenyl)propanoate?
The IUPAC name of methyl 2-(cyclopentylamino)-2-(2-fluorophenyl)propanoate (CID 54894107) is methyl 2-(cyclopentylamino)-2-(2-fluorophenyl)propanoate.
What is the SMILES notation for methyl 2-(cyclopentylamino)-2-(2-fluorophenyl)propanoate?
The canonical SMILES for methyl 2-(cyclopentylamino)-2-(2-fluorophenyl)propanoate is COC(=O)C(C)(NC1CCCC1)c1ccccc1F.
What is the InChIKey of methyl 2-(cyclopentylamino)-2-(2-fluorophenyl)propanoate?
The InChIKey is YELXZPTVEGFEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-15(14(18)19-2,17-11-7-3-4-8-11)12-9-5-6-10-13(12)16/h5-6,9-11,17H,3-4,7-8H2,1-2H3.
What are the key properties of methyl 2-(cyclopentylamino)-2-(2-fluorophenyl)propanoate?
methyl 2-(cyclopentylamino)-2-(2-fluorophenyl)propanoate has a molecular weight of 265.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopentylamino)-2-(2-fluorophenyl)propanoate is sourced from PubChem (CID 54894107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).