methyl 3-(cyclopropylamino)-2-(4-fluorophenyl)propanoate

C13H16FNO2 — CID 117245047

IUPACmethyl 3-(cyclopropylamino)-2-(4-fluorophenyl)propanoate
SMILESCOC(=O)C(CNC1CC1)c1ccc(F)cc1
InChIInChI=1S/C13H16FNO2/c1-17-13(16)12(8-15-11-6-7-11)9-2-4-10(14)5-3-9/h2-5,11-12,15H,6-8H2,1H3
InChIKeyPCVBFNVQZQCMAU-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.83
Rot. Bonds5

About methyl 3-(cyclopropylamino)-2-(4-fluorophenyl)propanoate

methyl 3-(cyclopropylamino)-2-(4-fluorophenyl)propanoate (PubChem CID 117245047) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is methyl 3-(cyclopropylamino)-2-(4-fluorophenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(cyclopropylamino)-2-(4-fluorophenyl)propanoate
PubChem CID117245047
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Namemethyl 3-(cyclopropylamino)-2-(4-fluorophenyl)propanoate
SMILESCOC(=O)C(CNC1CC1)c1ccc(F)cc1
InChIInChI=1S/C13H16FNO2/c1-17-13(16)12(8-15-11-6-7-11)9-2-4-10(14)5-3-9/h2-5,11-12,15H,6-8H2,1H3
InChIKeyPCVBFNVQZQCMAU-UHFFFAOYSA-N
XLogP1.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(cyclopentylamino)-2-phenylpropanoate
CID 64565196
methyl 2-(4-fluorophenyl)-3-sulfanylpropanoate
CID 117245362
methyl 2-(4-fluorophenyl)-3-methoxypropanoate
CID 117245338
dimethyl (2R)-2-(4-fluorophenyl)butanedioate
CID 94675067
methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylpropanoate
CID 117245099
4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclohexane-1-carboxamide
CID 61043138
methyl (2R)-2-cyclopentyl-2-(4-fluorophenyl)acetate
CID 124640320
4-(4-fluorophenyl)-5-methoxy-5-oxopentanoic acid
CID 141006930
methyl 3-(cyclobutylamino)-2-[3-(trifluoromethyl)phenyl]propanoate
CID 117243206
methyl 2-cyclopropyl-2-(4-fluorophenyl)acetate
CID 82077609
3-(cyclopropylamino)-2-(4-fluorophenyl)propan-1-ol
CID 117244719
methyl 2-(4-fluorophenyl)-5-oxopentanoate
CID 87327496

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclopropylamino)-2-(4-fluorophenyl)propanoate?
The IUPAC name of methyl 3-(cyclopropylamino)-2-(4-fluorophenyl)propanoate (CID 117245047) is methyl 3-(cyclopropylamino)-2-(4-fluorophenyl)propanoate.
What is the SMILES notation for methyl 3-(cyclopropylamino)-2-(4-fluorophenyl)propanoate?
The canonical SMILES for methyl 3-(cyclopropylamino)-2-(4-fluorophenyl)propanoate is COC(=O)C(CNC1CC1)c1ccc(F)cc1.
What is the InChIKey of methyl 3-(cyclopropylamino)-2-(4-fluorophenyl)propanoate?
The InChIKey is PCVBFNVQZQCMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-17-13(16)12(8-15-11-6-7-11)9-2-4-10(14)5-3-9/h2-5,11-12,15H,6-8H2,1H3.
What are the key properties of methyl 3-(cyclopropylamino)-2-(4-fluorophenyl)propanoate?
methyl 3-(cyclopropylamino)-2-(4-fluorophenyl)propanoate has a molecular weight of 237.27 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclopropylamino)-2-(4-fluorophenyl)propanoate is sourced from PubChem (CID 117245047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).