methyl (2R)-2-amino-3-(3-fluoro-5-hydroxyphenyl)propanoate

C10H12FNO3 — CID 124518463

IUPACmethyl (2R)-2-amino-3-(3-fluoro-5-hydroxyphenyl)propanoate
SMILESCOC(=O)[C@H](N)Cc1cc(O)cc(F)c1
InChIInChI=1S/C10H12FNO3/c1-15-10(14)9(12)4-6-2-7(11)5-8(13)3-6/h2-3,5,9,13H,4,12H2,1H3/t9-/m1/s1
InChIKeyIXANEDBEHRGAPH-SECBINFHSA-N
MW213.21 g/mol
LogP0.57
Rot. Bonds3

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

methyl (2R)-2-amino-3-(3-fluoro-5-hydroxyphenyl)propanoate (PubChem CID 124518463) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-(3-fluoro-5-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-(3-fluoro-5-hydroxyphenyl)propanoate
PubChem CID124518463
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Namemethyl (2R)-2-amino-3-(3-fluoro-5-hydroxyphenyl)propanoate
SMILESCOC(=O)[C@H](N)Cc1cc(O)cc(F)c1
InChIInChI=1S/C10H12FNO3/c1-15-10(14)9(12)4-6-2-7(11)5-8(13)3-6/h2-3,5,9,13H,4,12H2,1H3/t9-/m1/s1
InChIKeyIXANEDBEHRGAPH-SECBINFHSA-N
XLogP0.57
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-3-(3,5-difluorophenyl)-2-(tritioamino)propanoate
CID 58759908
methyl 2-amino-3-(3,4,5-trihydroxyphenyl)propanoate
CID 91499615
methyl (2S)-2-amino-3-(5-hydroxy-3-pyridinyl)propanoate
CID 55252997
4-[(2S)-2-amino-3-methoxy-3-oxopropyl]-2,6-difluorobenzoic acid
CID 171238392
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
methyl (2S)-3-(3-fluoro-5-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 170790955
methyl 2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoate
CID 170883567
methyl (2R)-2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate
CID 171238105
methyl 2-amino-3-(4-fluoro-3-hydroxyphenyl)propanoate
CID 77391788
methyl (2S)-2-amino-3-(3,5-dibromophenyl)propanoate
CID 134210491
methyl 2-amino-3-(2,4,6-trihydroxyphenyl)propanoate
CID 170883280
methyl (2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoate;hydrochloride
CID 66719586

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-(3-fluoro-5-hydroxyphenyl)propanoate?
The IUPAC name of methyl (2R)-2-amino-3-(3-fluoro-5-hydroxyphenyl)propanoate (CID 124518463) is methyl (2R)-2-amino-3-(3-fluoro-5-hydroxyphenyl)propanoate.
What is the SMILES notation for methyl (2R)-2-amino-3-(3-fluoro-5-hydroxyphenyl)propanoate?
The canonical SMILES for methyl (2R)-2-amino-3-(3-fluoro-5-hydroxyphenyl)propanoate is COC(=O)[C@H](N)Cc1cc(O)cc(F)c1.
What is the InChIKey of methyl (2R)-2-amino-3-(3-fluoro-5-hydroxyphenyl)propanoate?
The InChIKey is IXANEDBEHRGAPH-SECBINFHSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-15-10(14)9(12)4-6-2-7(11)5-8(13)3-6/h2-3,5,9,13H,4,12H2,1H3/t9-/m1/s1.
What are the key properties of methyl (2R)-2-amino-3-(3-fluoro-5-hydroxyphenyl)propanoate?
methyl (2R)-2-amino-3-(3-fluoro-5-hydroxyphenyl)propanoate has a molecular weight of 213.21 g/mol, XLogP of 0.57, 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-fluoro-5-hydroxyphenyl)propanoate is sourced from PubChem (CID 124518463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).