methyl 2-(2-fluorophenyl)-2-(prop-2-ynylamino)propanoate

C13H14FNO2 — CID 62367199

IUPACmethyl 2-(2-fluorophenyl)-2-(prop-2-ynylamino)propanoate
SMILESC#CCNC(C)(C(=O)OC)c1ccccc1F
InChIInChI=1S/C13H14FNO2/c1-4-9-15-13(2,12(16)17-3)10-7-5-6-8-11(10)14/h1,5-8,15H,9H2,2-3H3
InChIKeyVYPULLCBBSLAQY-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.44
Rot. Bonds4

About methyl 2-(2-fluorophenyl)-2-(prop-2-ynylamino)propanoate

methyl 2-(2-fluorophenyl)-2-(prop-2-ynylamino)propanoate (PubChem CID 62367199) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is methyl 2-(2-fluorophenyl)-2-(prop-2-ynylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-fluorophenyl)-2-(prop-2-ynylamino)propanoate
PubChem CID62367199
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Namemethyl 2-(2-fluorophenyl)-2-(prop-2-ynylamino)propanoate
SMILESC#CCNC(C)(C(=O)OC)c1ccccc1F
InChIInChI=1S/C13H14FNO2/c1-4-9-15-13(2,12(16)17-3)10-7-5-6-8-11(10)14/h1,5-8,15H,9H2,2-3H3
InChIKeyVYPULLCBBSLAQY-UHFFFAOYSA-N
XLogP1.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2-fluorophenyl)-2-(propylamino)propanoate
CID 60796122
methyl 2-(2,5-dichlorophenyl)-2-(prop-2-ynylamino)propanoate
CID 62366157
methyl 2-(2-chloroanilino)-2-(2-fluorophenyl)propanoate
CID 60992066
methyl 2-(2-fluorophenyl)-2-(4-methylanilino)propanoate
CID 60991205
methyl 2-(2-methoxy-5-methylphenyl)-2-(prop-2-ynylamino)propanoate
CID 55062919
ethyl 2-(2,4-difluorophenyl)-2-(prop-2-ynylamino)propanoate
CID 62364969
methyl 2-(cyclopentylamino)-2-(2-fluorophenyl)propanoate
CID 54894107
methyl 2-(prop-2-ynylamino)-2-pyridin-3-ylpropanoate
CID 62365284
ethyl 2-(2-fluorophenyl)-2-(prop-2-enylamino)propanoate
CID 55063479
ethyl 2-(2,5-dimethylphenyl)-2-(prop-2-ynylamino)propanoate
CID 55063389
methyl 2-(4-propan-2-yloxyphenyl)-2-(prop-2-ynylamino)propanoate
CID 62365990
methyl 2-(4-propoxyphenyl)-2-(prop-2-ynylamino)propanoate
CID 62365989

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluorophenyl)-2-(prop-2-ynylamino)propanoate?
The IUPAC name of methyl 2-(2-fluorophenyl)-2-(prop-2-ynylamino)propanoate (CID 62367199) is methyl 2-(2-fluorophenyl)-2-(prop-2-ynylamino)propanoate.
What is the SMILES notation for methyl 2-(2-fluorophenyl)-2-(prop-2-ynylamino)propanoate?
The canonical SMILES for methyl 2-(2-fluorophenyl)-2-(prop-2-ynylamino)propanoate is C#CCNC(C)(C(=O)OC)c1ccccc1F.
What is the InChIKey of methyl 2-(2-fluorophenyl)-2-(prop-2-ynylamino)propanoate?
The InChIKey is VYPULLCBBSLAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-4-9-15-13(2,12(16)17-3)10-7-5-6-8-11(10)14/h1,5-8,15H,9H2,2-3H3.
What are the key properties of methyl 2-(2-fluorophenyl)-2-(prop-2-ynylamino)propanoate?
methyl 2-(2-fluorophenyl)-2-(prop-2-ynylamino)propanoate has a molecular weight of 235.26 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluorophenyl)-2-(prop-2-ynylamino)propanoate is sourced from PubChem (CID 62367199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).