2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetic acid

C12H15F2NO2 — CID 63667753

IUPAC2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetic acid
SMILESCC(C)CNC(C(=O)O)c1cccc(F)c1F
InChIInChI=1S/C12H15F2NO2/c1-7(2)6-15-11(12(16)17)8-4-3-5-9(13)10(8)14/h3-5,7,11,15H,6H2,1-2H3,(H,16,17)
InChIKeyROVQVIRGGGUPOX-UHFFFAOYSA-N
MW243.25 g/mol
LogP2.34
Rot. Bonds5

About 2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetic acid

2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetic acid (PubChem CID 63667753) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetic acid.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetic acid
PubChem CID63667753
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetic acid
SMILESCC(C)CNC(C(=O)O)c1cccc(F)c1F
InChIInChI=1S/C12H15F2NO2/c1-7(2)6-15-11(12(16)17)8-4-3-5-9(13)10(8)14/h3-5,7,11,15H,6H2,1-2H3,(H,16,17)
InChIKeyROVQVIRGGGUPOX-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 63667429
2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetonitrile
CID 63669621
2-(2,3-difluorophenyl)-2-(propylamino)acetamide
CID 63668774
2-(2,3-difluorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 103663648
5-(2,3-difluorophenyl)hexan-2-one
CID 83925446
(2S)-2-(benzylamino)-2-(2-fluorophenyl)acetic acid
CID 26985403
(2S)-2-(2,3-difluorophenyl)-2-(dimethylamino)acetic acid
CID 174754003
ethyl 2-anilino-2-(2,3-difluorophenyl)acetate
CID 63668266
methyl 2-(2,3-difluorophenyl)-2-[2-(dimethylamino)ethylamino]acetate
CID 63667585
3-fluoro-2-(2-methylpropylamino)benzoic acid
CID 62649634
N-[1-(2,3-difluorophenyl)ethyl]pentanamide
CID 141128931
2-(2-methylpropylamino)-2-(2,3,4-trimethoxyphenyl)acetic acid
CID 61001806

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetic acid?
The IUPAC name of 2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetic acid (CID 63667753) is 2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetic acid.
What is the SMILES notation for 2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetic acid?
The canonical SMILES for 2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetic acid is CC(C)CNC(C(=O)O)c1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetic acid?
The InChIKey is ROVQVIRGGGUPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-7(2)6-15-11(12(16)17)8-4-3-5-9(13)10(8)14/h3-5,7,11,15H,6H2,1-2H3,(H,16,17).
What are the key properties of 2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetic acid?
2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetic acid has a molecular weight of 243.25 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetic acid is sourced from PubChem (CID 63667753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).