methyl (2R)-2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate

C10H11F2NO3 — CID 171238105

IUPACmethyl (2R)-2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate
SMILESCOC(=O)[C@H](N)Cc1cc(F)cc(F)c1O
InChIInChI=1S/C10H11F2NO3/c1-16-10(15)8(13)3-5-2-6(11)4-7(12)9(5)14/h2,4,8,14H,3,13H2,1H3/t8-/m1/s1
InChIKeyDXWDDTDVIZZNFC-MRVPVSSYSA-N
MW231.20 g/mol
LogP0.71
Rot. Bonds3

About methyl (2R)-2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate

methyl (2R)-2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate (PubChem CID 171238105) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate
PubChem CID171238105
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Namemethyl (2R)-2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate
SMILESCOC(=O)[C@H](N)Cc1cc(F)cc(F)c1O
InChIInChI=1S/C10H11F2NO3/c1-16-10(15)8(13)3-5-2-6(11)4-7(12)9(5)14/h2,4,8,14H,3,13H2,1H3/t8-/m1/s1
InChIKeyDXWDDTDVIZZNFC-MRVPVSSYSA-N
XLogP0.71
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate
CID 170885000
methyl 2-amino-3-(5-bromo-4-fluoro-2-hydroxyphenyl)propanoate
CID 170884169
methyl 2-amino-3-(3,5-dibromo-4-fluoro-2-hydroxyphenyl)propanoate
CID 170884170
methyl 2-amino-3-(2,4,5-trihydroxyphenyl)propanoate
CID 170883293
methyl 2-amino-3-(5-ethyl-2-hydroxy-3-methoxyphenyl)propanoate
CID 170884311
methyl (2R)-2-amino-3-(5-amino-2,4-difluorophenyl)propanoate
CID 171238194
methyl 2-bromo-3-(2,3,5-trifluorophenyl)propanoate
CID 62812084
methyl (2R)-2-amino-3-(3-fluoro-5-hydroxyphenyl)propanoate
CID 124518463
methyl 2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoate
CID 170883567
methyl 2-amino-3-(3,4,5-trihydroxyphenyl)propanoate
CID 91499615
methyl (2R)-2-amino-3-(2-fluorophenyl)propanoate;hydrochloride
CID 69489037
methyl (2S)-2-amino-3-(2-fluoro-4-methylphenyl)propanoate;hydrochloride
CID 146160453

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate?
The IUPAC name of methyl (2R)-2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate (CID 171238105) is methyl (2R)-2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate.
What is the SMILES notation for methyl (2R)-2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate?
The canonical SMILES for methyl (2R)-2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate is COC(=O)[C@H](N)Cc1cc(F)cc(F)c1O.
What is the InChIKey of methyl (2R)-2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate?
The InChIKey is DXWDDTDVIZZNFC-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c1-16-10(15)8(13)3-5-2-6(11)4-7(12)9(5)14/h2,4,8,14H,3,13H2,1H3/t8-/m1/s1.
What are the key properties of methyl (2R)-2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate?
methyl (2R)-2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate has a molecular weight of 231.20 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate is sourced from PubChem (CID 171238105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).