(2S)-2-(2,3-difluorophenyl)-2-(dimethylamino)acetic acid

C10H11F2NO2 — CID 174754003

IUPAC(2S)-2-(2,3-difluorophenyl)-2-(dimethylamino)acetic acid
SMILESCN(C)[C@H](C(=O)O)c1cccc(F)c1F
InChIInChI=1S/C10H11F2NO2/c1-13(2)9(10(14)15)6-4-3-5-7(11)8(6)12/h3-5,9H,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyVEYNUEAWUNSRBN-VIFPVBQESA-N
MW215.20 g/mol
LogP1.65
Rot. Bonds3

About (2S)-2-(2,3-difluorophenyl)-2-(dimethylamino)acetic acid

(2S)-2-(2,3-difluorophenyl)-2-(dimethylamino)acetic acid (PubChem CID 174754003) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is (2S)-2-(2,3-difluorophenyl)-2-(dimethylamino)acetic acid.

Molecular Properties

Compound Name(2S)-2-(2,3-difluorophenyl)-2-(dimethylamino)acetic acid
PubChem CID174754003
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name(2S)-2-(2,3-difluorophenyl)-2-(dimethylamino)acetic acid
SMILESCN(C)[C@H](C(=O)O)c1cccc(F)c1F
InChIInChI=1S/C10H11F2NO2/c1-13(2)9(10(14)15)6-4-3-5-7(11)8(6)12/h3-5,9H,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyVEYNUEAWUNSRBN-VIFPVBQESA-N
XLogP1.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid
CID 26722551
2-[acetyl(methyl)amino]-2-(2,3-difluorophenyl)acetic acid
CID 63701401
2-[acetyl(propyl)amino]-2-(2,3-difluorophenyl)acetic acid
CID 63704797
2-[acetyl(methyl)amino]-2-(3-chloro-2-fluorophenyl)acetic acid
CID 114488209
(2,3-difluorophenyl)-methylcarbamic acid
CID 67274769
2-(3-chloro-2-fluorophenyl)-2-[formyl(methyl)amino]acetic acid
CID 114488213
2-amino-3-(2,3-difluorophenyl)-3-hydroxypropanoic acid
CID 66204310
2-[3-(difluoromethyl)-2-fluorophenyl]propanoic acid
CID 165489779
2-[benzyl(methyl)amino]-2-(2-fluorophenyl)acetic acid
CID 84751337
2-[2-(dimethylamino)-3-fluorophenyl]-2-hydroxyacetic acid
CID 117108572
2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetic acid
CID 63667753
2-(dimethylamino)-2-(2-nitrophenyl)acetic acid
CID 84749158

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-difluorophenyl)-2-(dimethylamino)acetic acid?
The IUPAC name of (2S)-2-(2,3-difluorophenyl)-2-(dimethylamino)acetic acid (CID 174754003) is (2S)-2-(2,3-difluorophenyl)-2-(dimethylamino)acetic acid.
What is the SMILES notation for (2S)-2-(2,3-difluorophenyl)-2-(dimethylamino)acetic acid?
The canonical SMILES for (2S)-2-(2,3-difluorophenyl)-2-(dimethylamino)acetic acid is CN(C)[C@H](C(=O)O)c1cccc(F)c1F.
What is the InChIKey of (2S)-2-(2,3-difluorophenyl)-2-(dimethylamino)acetic acid?
The InChIKey is VEYNUEAWUNSRBN-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-13(2)9(10(14)15)6-4-3-5-7(11)8(6)12/h3-5,9H,1-2H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-(2,3-difluorophenyl)-2-(dimethylamino)acetic acid?
(2S)-2-(2,3-difluorophenyl)-2-(dimethylamino)acetic acid has a molecular weight of 215.20 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-difluorophenyl)-2-(dimethylamino)acetic acid is sourced from PubChem (CID 174754003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).