(2R)-2-(2,4-difluorophenyl)-2-(methylamino)acetic acid

C9H9F2NO2 — CID 93280033

IUPAC(2R)-2-(2,4-difluorophenyl)-2-(methylamino)acetic acid
SMILESCN[C@@H](C(=O)O)c1ccc(F)cc1F
InChIInChI=1S/C9H9F2NO2/c1-12-8(9(13)14)6-3-2-5(10)4-7(6)11/h2-4,8,12H,1H3,(H,13,14)/t8-/m1/s1
InChIKeyITTLCXKIZYAWOY-MRVPVSSYSA-N
MW201.17 g/mol
LogP1.31
Rot. Bonds3

About (2R)-2-(2,4-difluorophenyl)-2-(methylamino)acetic acid

(2R)-2-(2,4-difluorophenyl)-2-(methylamino)acetic acid (PubChem CID 93280033) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is (2R)-2-(2,4-difluorophenyl)-2-(methylamino)acetic acid.

Molecular Properties

Compound Name(2R)-2-(2,4-difluorophenyl)-2-(methylamino)acetic acid
PubChem CID93280033
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name(2R)-2-(2,4-difluorophenyl)-2-(methylamino)acetic acid
SMILESCN[C@@H](C(=O)O)c1ccc(F)cc1F
InChIInChI=1S/C9H9F2NO2/c1-12-8(9(13)14)6-3-2-5(10)4-7(6)11/h2-4,8,12H,1H3,(H,13,14)/t8-/m1/s1
InChIKeyITTLCXKIZYAWOY-MRVPVSSYSA-N
XLogP1.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(2,4-difluorophenyl)-2-(methylamino)acetate
CID 60787900
2-(2,4-difluorophenyl)-2-(4-fluoroanilino)acetic acid
CID 60992205
2-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]acetic acid
CID 84746744
2-(4-chloroanilino)-2-(2,4-difluorophenyl)acetic acid
CID 60993908
2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetic acid
CID 54892642
3-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 79729834
(2S)-2-(2,4-difluorophenyl)-3-hydroxypropanoic acid
CID 171716727
(2R)-2-(2,4-difluorophenyl)-2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]acetic acid
CID 97259424
2-anilino-2-(2,4-difluorophenyl)acetamide
CID 54889357
4-[1-(2,4-difluorophenyl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496981
(1S)-1-(2,4-difluorophenyl)-1-hydroxypropan-2-one
CID 101087572
2-[3-(2,4-difluorophenyl)butanoylamino]propanoic acid
CID 120523631

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-difluorophenyl)-2-(methylamino)acetic acid?
The IUPAC name of (2R)-2-(2,4-difluorophenyl)-2-(methylamino)acetic acid (CID 93280033) is (2R)-2-(2,4-difluorophenyl)-2-(methylamino)acetic acid.
What is the SMILES notation for (2R)-2-(2,4-difluorophenyl)-2-(methylamino)acetic acid?
The canonical SMILES for (2R)-2-(2,4-difluorophenyl)-2-(methylamino)acetic acid is CN[C@@H](C(=O)O)c1ccc(F)cc1F.
What is the InChIKey of (2R)-2-(2,4-difluorophenyl)-2-(methylamino)acetic acid?
The InChIKey is ITTLCXKIZYAWOY-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c1-12-8(9(13)14)6-3-2-5(10)4-7(6)11/h2-4,8,12H,1H3,(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-2-(2,4-difluorophenyl)-2-(methylamino)acetic acid?
(2R)-2-(2,4-difluorophenyl)-2-(methylamino)acetic acid has a molecular weight of 201.17 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-difluorophenyl)-2-(methylamino)acetic acid is sourced from PubChem (CID 93280033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).