methyl (2R)-2-amino-2-(2-fluoro-3-methoxyphenyl)acetate

C10H12FNO3 — CID 171225303

IUPACmethyl (2R)-2-amino-2-(2-fluoro-3-methoxyphenyl)acetate
SMILESCOC(=O)[C@H](N)c1cccc(OC)c1F
InChIInChI=1S/C10H12FNO3/c1-14-7-5-3-4-6(8(7)11)9(12)10(13)15-2/h3-5,9H,12H2,1-2H3/t9-/m1/s1
InChIKeyPNRIAESYPMPPOA-SECBINFHSA-N
MW213.21 g/mol
LogP1.01
Rot. Bonds3

About methyl (2R)-2-amino-2-(2-fluoro-3-methoxyphenyl)acetate

methyl (2R)-2-amino-2-(2-fluoro-3-methoxyphenyl)acetate (PubChem CID 171225303) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(2-fluoro-3-methoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(2-fluoro-3-methoxyphenyl)acetate
PubChem CID171225303
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Namemethyl (2R)-2-amino-2-(2-fluoro-3-methoxyphenyl)acetate
SMILESCOC(=O)[C@H](N)c1cccc(OC)c1F
InChIInChI=1S/C10H12FNO3/c1-14-7-5-3-4-6(8(7)11)9(12)10(13)15-2/h3-5,9H,12H2,1-2H3/t9-/m1/s1
InChIKeyPNRIAESYPMPPOA-SECBINFHSA-N
XLogP1.01
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55273473
(1S,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55271368
methyl (2S)-2-amino-2-(4-fluoro-2-methoxyphenyl)acetate;hydrochloride
CID 171205347
methyl (2S)-2-amino-2-(2-fluoro-6-methoxyphenyl)acetate;hydrochloride
CID 171210665
(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424
ethyl (3S)-3-amino-3-(2-fluoro-3-methoxyphenyl)propanoate
CID 171225305
(1R,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol;hydrochloride
CID 171262633
methyl 2-amino-2-[2-(trifluoromethoxy)phenyl]acetate
CID 60795431
1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylpropan-1-amine
CID 82807508
4-(2-fluoro-3-methoxyphenyl)pentan-2-one
CID 82810773
methyl (2S)-2-amino-2-[2-hydroxy-3-(trifluoromethoxy)phenyl]acetate;hydrochloride
CID 171258855
(3S)-3-amino-2,2-difluoro-3-(2-fluoro-3-methoxyphenyl)propan-1-ol;hydrochloride
CID 171248235

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-(2-fluoro-3-methoxyphenyl)acetate?
The IUPAC name of methyl (2R)-2-amino-2-(2-fluoro-3-methoxyphenyl)acetate (CID 171225303) is methyl (2R)-2-amino-2-(2-fluoro-3-methoxyphenyl)acetate.
What is the SMILES notation for methyl (2R)-2-amino-2-(2-fluoro-3-methoxyphenyl)acetate?
The canonical SMILES for methyl (2R)-2-amino-2-(2-fluoro-3-methoxyphenyl)acetate is COC(=O)[C@H](N)c1cccc(OC)c1F.
What is the InChIKey of methyl (2R)-2-amino-2-(2-fluoro-3-methoxyphenyl)acetate?
The InChIKey is PNRIAESYPMPPOA-SECBINFHSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-14-7-5-3-4-6(8(7)11)9(12)10(13)15-2/h3-5,9H,12H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl (2R)-2-amino-2-(2-fluoro-3-methoxyphenyl)acetate?
methyl (2R)-2-amino-2-(2-fluoro-3-methoxyphenyl)acetate has a molecular weight of 213.21 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-(2-fluoro-3-methoxyphenyl)acetate is sourced from PubChem (CID 171225303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).