methyl 2-(cyclopropylamino)-2-(3-fluoro-4-hydroxyphenyl)acetate

C12H14FNO3 — CID 107690174

IUPACmethyl 2-(cyclopropylamino)-2-(3-fluoro-4-hydroxyphenyl)acetate
SMILESCOC(=O)C(NC1CC1)c1ccc(O)c(F)c1
InChIInChI=1S/C12H14FNO3/c1-17-12(16)11(14-8-3-4-8)7-2-5-10(15)9(13)6-7/h2,5-6,8,11,14-15H,3-4H2,1H3
InChIKeyWVFXONXUZINPOR-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.50
Rot. Bonds4

About methyl 2-(cyclopropylamino)-2-(3-fluoro-4-hydroxyphenyl)acetate

methyl 2-(cyclopropylamino)-2-(3-fluoro-4-hydroxyphenyl)acetate (PubChem CID 107690174) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-2-(3-fluoro-4-hydroxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-2-(3-fluoro-4-hydroxyphenyl)acetate
PubChem CID107690174
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Namemethyl 2-(cyclopropylamino)-2-(3-fluoro-4-hydroxyphenyl)acetate
SMILESCOC(=O)C(NC1CC1)c1ccc(O)c(F)c1
InChIInChI=1S/C12H14FNO3/c1-17-12(16)11(14-8-3-4-8)7-2-5-10(15)9(13)6-7/h2,5-6,8,11,14-15H,3-4H2,1H3
InChIKeyWVFXONXUZINPOR-UHFFFAOYSA-N
XLogP1.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(cyclopropylmethylamino)-2-(3-fluoro-4-hydroxyphenyl)acetate
CID 107690278
methyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate
CID 81146135
methyl 2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetate
CID 60795655
methyl 2-(cyclopentylamino)-2-(3,4-dimethylphenyl)acetate
CID 54894017
methyl 2-(cyclopropylamino)-2-pyridin-4-ylacetate
CID 116857371
methyl 2-(cyclopropylamino)-2-(4-phenylphenyl)acetate
CID 60796680
methyl 2-(4-butan-2-ylphenyl)-2-(cyclopropylamino)acetate
CID 116857339
methyl 2-(cycloheptylamino)-2-(3,5-difluorophenyl)acetate
CID 106528954
ethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetate
CID 81146015
4-[1-(cyclopropylamino)-2-hydroxyethyl]-2-fluorophenol
CID 107693474
4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluorophenol
CID 29038955
ethyl 2-(cyclopropylamino)-2-(3,4,5-trifluorophenyl)acetate
CID 55147934

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-2-(3-fluoro-4-hydroxyphenyl)acetate?
The IUPAC name of methyl 2-(cyclopropylamino)-2-(3-fluoro-4-hydroxyphenyl)acetate (CID 107690174) is methyl 2-(cyclopropylamino)-2-(3-fluoro-4-hydroxyphenyl)acetate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-2-(3-fluoro-4-hydroxyphenyl)acetate?
The canonical SMILES for methyl 2-(cyclopropylamino)-2-(3-fluoro-4-hydroxyphenyl)acetate is COC(=O)C(NC1CC1)c1ccc(O)c(F)c1.
What is the InChIKey of methyl 2-(cyclopropylamino)-2-(3-fluoro-4-hydroxyphenyl)acetate?
The InChIKey is WVFXONXUZINPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-17-12(16)11(14-8-3-4-8)7-2-5-10(15)9(13)6-7/h2,5-6,8,11,14-15H,3-4H2,1H3.
What are the key properties of methyl 2-(cyclopropylamino)-2-(3-fluoro-4-hydroxyphenyl)acetate?
methyl 2-(cyclopropylamino)-2-(3-fluoro-4-hydroxyphenyl)acetate has a molecular weight of 239.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-2-(3-fluoro-4-hydroxyphenyl)acetate is sourced from PubChem (CID 107690174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).