methyl (2S)-2-amino-2-(2,5-difluorophenyl)acetate

C9H9F2NO2 — CID 51888842

IUPACmethyl (2S)-2-amino-2-(2,5-difluorophenyl)acetate
SMILESCOC(=O)[C@@H](N)c1cc(F)ccc1F
InChIInChI=1S/C9H9F2NO2/c1-14-9(13)8(12)6-4-5(10)2-3-7(6)11/h2-4,8H,12H2,1H3/t8-/m0/s1
InChIKeyBHZBIYYWIUHYAX-QMMMGPOBSA-N
MW201.17 g/mol
LogP1.14
Rot. Bonds2

About methyl (2S)-2-amino-2-(2,5-difluorophenyl)acetate

methyl (2S)-2-amino-2-(2,5-difluorophenyl)acetate (PubChem CID 51888842) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is methyl (2S)-2-amino-2-(2,5-difluorophenyl)acetate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-2-(2,5-difluorophenyl)acetate
PubChem CID51888842
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Namemethyl (2S)-2-amino-2-(2,5-difluorophenyl)acetate
SMILESCOC(=O)[C@@H](N)c1cc(F)ccc1F
InChIInChI=1S/C9H9F2NO2/c1-14-9(13)8(12)6-4-5(10)2-3-7(6)11/h2-4,8H,12H2,1H3/t8-/m0/s1
InChIKeyBHZBIYYWIUHYAX-QMMMGPOBSA-N
XLogP1.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2,5-difluorophenyl)propanoate
CID 62801922
methyl (2R)-2-amino-2-(5-bromo-2-fluorophenyl)acetate;hydrochloride
CID 171220169
methyl (2S)-2-amino-2-(4-fluoro-2-methoxyphenyl)acetate;hydrochloride
CID 171205347
methyl (2R)-2-amino-2-(2,3,5-trifluorophenyl)acetate;hydrochloride
CID 171224868
2-amino-2-(2,5-difluorophenyl)-N',N'-dimethylacetohydrazide
CID 116849798
2-amino-2-(2,5-difluorophenyl)-N-methylacetohydrazide
CID 116848922
methyl (3R)-3-amino-3-(2,5-difluorophenyl)propanoate;hydrochloride
CID 171247795
methyl (2S)-2-amino-2-(4-fluoro-2-nitrophenyl)acetate
CID 171206095
methyl 2-amino-2-(2,5-dichlorophenyl)acetate;hydrochloride
CID 162344729
methyl 2-(2,5-difluorophenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 54892899
methyl 2-(2,5-difluorophenyl)-2-(prop-2-ynylamino)acetate
CID 55063341
methyl (2S)-2-(cyclopropanecarbonylamino)-2-(2,5-difluorophenyl)acetate
CID 95289567

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-2-(2,5-difluorophenyl)acetate?
The IUPAC name of methyl (2S)-2-amino-2-(2,5-difluorophenyl)acetate (CID 51888842) is methyl (2S)-2-amino-2-(2,5-difluorophenyl)acetate.
What is the SMILES notation for methyl (2S)-2-amino-2-(2,5-difluorophenyl)acetate?
The canonical SMILES for methyl (2S)-2-amino-2-(2,5-difluorophenyl)acetate is COC(=O)[C@@H](N)c1cc(F)ccc1F.
What is the InChIKey of methyl (2S)-2-amino-2-(2,5-difluorophenyl)acetate?
The InChIKey is BHZBIYYWIUHYAX-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9F2NO2/c1-14-9(13)8(12)6-4-5(10)2-3-7(6)11/h2-4,8H,12H2,1H3/t8-/m0/s1.
What are the key properties of methyl (2S)-2-amino-2-(2,5-difluorophenyl)acetate?
methyl (2S)-2-amino-2-(2,5-difluorophenyl)acetate has a molecular weight of 201.17 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-2-(2,5-difluorophenyl)acetate is sourced from PubChem (CID 51888842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).