methyl 2-amino-3,3-difluoro-2-(4-methylphenyl)propanoate

C11H13F2NO2 — CID 105486345

IUPACmethyl 2-amino-3,3-difluoro-2-(4-methylphenyl)propanoate
SMILESCOC(=O)C(N)(c1ccc(C)cc1)C(F)F
InChIInChI=1S/C11H13F2NO2/c1-7-3-5-8(6-4-7)11(14,9(12)13)10(15)16-2/h3-6,9H,14H2,1-2H3
InChIKeyLSJOXGZXTGHSPN-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.59
Rot. Bonds3

About methyl 2-amino-3,3-difluoro-2-(4-methylphenyl)propanoate

methyl 2-amino-3,3-difluoro-2-(4-methylphenyl)propanoate (PubChem CID 105486345) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is methyl 2-amino-3,3-difluoro-2-(4-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3,3-difluoro-2-(4-methylphenyl)propanoate
PubChem CID105486345
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Namemethyl 2-amino-3,3-difluoro-2-(4-methylphenyl)propanoate
SMILESCOC(=O)C(N)(c1ccc(C)cc1)C(F)F
InChIInChI=1S/C11H13F2NO2/c1-7-3-5-8(6-4-7)11(14,9(12)13)10(15)16-2/h3-6,9H,14H2,1-2H3
InChIKeyLSJOXGZXTGHSPN-UHFFFAOYSA-N
XLogP1.59
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-3-fluoro-2-(4-fluorophenyl)butanoate
CID 105486322
methyl 2-hydroxy-2,2-bis(4-methylphenyl)acetate
CID 22574226
methyl (2R)-2-hydroxy-2-(4-methylphenyl)propanoate
CID 15626355
methyl 2-amino-3-fluoro-2-(3-fluorophenyl)butanoate
CID 105486320
methyl 2-(4-methylphenyl)-2-phenyl-2-sulfanylacetate
CID 87833882
2,2-bis(4-methylphenyl)propanediamide
CID 174721937
methyl 2-methyl-2-(4-methylphenyl)propanoate;2-methyl-2-(4-methylphenyl)propanoic acid
CID 160807405
dimethyl (2R,3R)-2,3-dicyano-2,3-bis(4-methylphenyl)butanedioate
CID 170847975
2-(4-methylphenyl)propan-2-yl 2-methylpropanoate
CID 170276277
ethane;4-methylbenzohydrazide
CID 143952809
methyl 2-(aminomethyl)-2-(4-methylphenyl)pentanoate
CID 106509339
ethyl 2,3-dimethyl-2-(4-methylphenyl)butanoate
CID 117047921

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3,3-difluoro-2-(4-methylphenyl)propanoate?
The IUPAC name of methyl 2-amino-3,3-difluoro-2-(4-methylphenyl)propanoate (CID 105486345) is methyl 2-amino-3,3-difluoro-2-(4-methylphenyl)propanoate.
What is the SMILES notation for methyl 2-amino-3,3-difluoro-2-(4-methylphenyl)propanoate?
The canonical SMILES for methyl 2-amino-3,3-difluoro-2-(4-methylphenyl)propanoate is COC(=O)C(N)(c1ccc(C)cc1)C(F)F.
What is the InChIKey of methyl 2-amino-3,3-difluoro-2-(4-methylphenyl)propanoate?
The InChIKey is LSJOXGZXTGHSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-7-3-5-8(6-4-7)11(14,9(12)13)10(15)16-2/h3-6,9H,14H2,1-2H3.
What are the key properties of methyl 2-amino-3,3-difluoro-2-(4-methylphenyl)propanoate?
methyl 2-amino-3,3-difluoro-2-(4-methylphenyl)propanoate has a molecular weight of 229.23 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3,3-difluoro-2-(4-methylphenyl)propanoate is sourced from PubChem (CID 105486345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).