(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid

C10H12FNO2 — CID 26722551

IUPAC(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid
SMILESCN(C)[C@H](C(=O)O)c1ccccc1F
InChIInChI=1S/C10H12FNO2/c1-12(2)9(10(13)14)7-5-3-4-6-8(7)11/h3-6,9H,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyJCWUTEGWHABTTF-VIFPVBQESA-N
MW197.21 g/mol
LogP1.51
Rot. Bonds3

About (2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid

(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid (PubChem CID 26722551) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid
PubChem CID26722551
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid
SMILESCN(C)[C@H](C(=O)O)c1ccccc1F
InChIInChI=1S/C10H12FNO2/c1-12(2)9(10(13)14)7-5-3-4-6-8(7)11/h3-6,9H,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyJCWUTEGWHABTTF-VIFPVBQESA-N
XLogP1.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,3-difluorophenyl)-2-(dimethylamino)acetic acid
CID 174754003
2-[benzyl(methyl)amino]-2-(2-fluorophenyl)acetic acid
CID 84751337
2-(N-ethylanilino)-2-(2-fluorophenyl)acetic acid
CID 84746440
[(1R)-1-phenylethyl] 2-(dimethylamino)-2-(2-fluorophenyl)acetate
CID 174612422
1-phenylethyl (2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetate
CID 70865763
2-phenylethyl (2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetate
CID 66728374
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 97110517
2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 146388962
2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-hydroxypropyl)acetamide
CID 72891697
2-[dimethylamino-(2-fluorophenyl)methyl]butanoic acid
CID 116913127
4-(dimethylamino)-4-(2-fluorophenyl)-2-methylbutanoic acid
CID 116908280
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide
CID 97155806

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid?
The IUPAC name of (2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid (CID 26722551) is (2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid.
What is the SMILES notation for (2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid?
The canonical SMILES for (2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid is CN(C)[C@H](C(=O)O)c1ccccc1F.
What is the InChIKey of (2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid?
The InChIKey is JCWUTEGWHABTTF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12FNO2/c1-12(2)9(10(13)14)7-5-3-4-6-8(7)11/h3-6,9H,1-2H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid?
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid has a molecular weight of 197.21 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid is sourced from PubChem (CID 26722551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).