(2S)-2-amino-2-[3-(difluoromethoxy)phenyl]acetic acid

C9H9F2NO3 — CID 66512368

IUPAC(2S)-2-amino-2-[3-(difluoromethoxy)phenyl]acetic acid
SMILESN[C@H](C(=O)O)c1cccc(OC(F)F)c1
InChIInChI=1S/C9H9F2NO3/c10-9(11)15-6-3-1-2-5(4-6)7(12)8(13)14/h1-4,7,9H,12H2,(H,13,14)/t7-/m0/s1
InChIKeyXDBLWPHZXYTUFY-ZETCQYMHSA-N
MW217.17 g/mol
LogP1.37
Rot. Bonds4

About (2S)-2-amino-2-[3-(difluoromethoxy)phenyl]acetic acid

(2S)-2-amino-2-[3-(difluoromethoxy)phenyl]acetic acid (PubChem CID 66512368) has the molecular formula C9H9F2NO3 and a molecular weight of 217.17 g/mol. Its IUPAC name is (2S)-2-amino-2-[3-(difluoromethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-[3-(difluoromethoxy)phenyl]acetic acid
PubChem CID66512368
Molecular FormulaC9H9F2NO3
Molecular Weight217.17 g/mol
Exact Mass217.06
IUPAC Name(2S)-2-amino-2-[3-(difluoromethoxy)phenyl]acetic acid
SMILESN[C@H](C(=O)O)c1cccc(OC(F)F)c1
InChIInChI=1S/C9H9F2NO3/c10-9(11)15-6-3-1-2-5(4-6)7(12)8(13)14/h1-4,7,9H,12H2,(H,13,14)/t7-/m0/s1
InChIKeyXDBLWPHZXYTUFY-ZETCQYMHSA-N
XLogP1.37
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.17
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 170914332
2-bromo-2-[3-(difluoromethoxy)phenyl]acetic acid
CID 129188057
(2R)-2-amino-2-(3-ethoxyphenyl)acetic acid
CID 7046833
2-amino-2-(3-prop-2-enoxyphenyl)acetic acid
CID 22278592
3-amino-3-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 170874621
(2S)-2-amino-2-(3-cyclopentyloxyphenyl)acetic acid
CID 66513071
(1R)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171248398
(1S)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171241676
(1S,2R)-1-amino-1-[3-(difluoromethoxy)phenyl]-3-phenylpropan-2-ol
CID 171268459
ethyl (3R)-3-amino-3-[3-(difluoromethoxy)phenyl]propanoate
CID 171206155
(1R,2S)-1-amino-1-[3-(difluoromethoxy)phenyl]butan-2-ol;hydrochloride
CID 171262763
(1R,2S)-2-amino-1-cyclopropyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride
CID 171268438

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[3-(difluoromethoxy)phenyl]acetic acid?
The IUPAC name of (2S)-2-amino-2-[3-(difluoromethoxy)phenyl]acetic acid (CID 66512368) is (2S)-2-amino-2-[3-(difluoromethoxy)phenyl]acetic acid.
What is the SMILES notation for (2S)-2-amino-2-[3-(difluoromethoxy)phenyl]acetic acid?
The canonical SMILES for (2S)-2-amino-2-[3-(difluoromethoxy)phenyl]acetic acid is N[C@H](C(=O)O)c1cccc(OC(F)F)c1.
What is the InChIKey of (2S)-2-amino-2-[3-(difluoromethoxy)phenyl]acetic acid?
The InChIKey is XDBLWPHZXYTUFY-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H9F2NO3/c10-9(11)15-6-3-1-2-5(4-6)7(12)8(13)14/h1-4,7,9H,12H2,(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-2-[3-(difluoromethoxy)phenyl]acetic acid?
(2S)-2-amino-2-[3-(difluoromethoxy)phenyl]acetic acid has a molecular weight of 217.17 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[3-(difluoromethoxy)phenyl]acetic acid is sourced from PubChem (CID 66512368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).