2-amino-2-[2-(dimethylamino)-3,6-difluorophenyl]acetic acid

C10H12F2N2O2 — CID 117115111

IUPAC2-amino-2-[2-(dimethylamino)-3,6-difluorophenyl]acetic acid
SMILESCN(C)c1c(F)ccc(F)c1C(N)C(=O)O
InChIInChI=1S/C10H12F2N2O2/c1-14(2)9-6(12)4-3-5(11)7(9)8(13)10(15)16/h3-4,8H,13H2,1-2H3,(H,15,16)
InChIKeyALZKQIZKUHLSBB-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.12
Rot. Bonds3

About 2-amino-2-[2-(dimethylamino)-3,6-difluorophenyl]acetic acid

2-amino-2-[2-(dimethylamino)-3,6-difluorophenyl]acetic acid (PubChem CID 117115111) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is 2-amino-2-[2-(dimethylamino)-3,6-difluorophenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(dimethylamino)-3,6-difluorophenyl]acetic acid
PubChem CID117115111
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name2-amino-2-[2-(dimethylamino)-3,6-difluorophenyl]acetic acid
SMILESCN(C)c1c(F)ccc(F)c1C(N)C(=O)O
InChIInChI=1S/C10H12F2N2O2/c1-14(2)9-6(12)4-3-5(11)7(9)8(13)10(15)16/h3-4,8H,13H2,1-2H3,(H,15,16)
InChIKeyALZKQIZKUHLSBB-UHFFFAOYSA-N
XLogP1.12
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)acetic acid
CID 66510686
2-amino-2-(2,6-difluoro-3-methylsulfanylphenyl)acetic acid
CID 117337661
(2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetic acid
CID 66512428
(2R)-2-amino-2-(2-fluoro-6-methylphenyl)acetic acid
CID 130997783
(2R)-2-amino-2-(2-fluoro-6-hydroxyphenyl)acetic acid
CID 130640522
2-[2-(dimethylamino)-3-fluorophenyl]-2-hydroxyacetic acid
CID 117108572
(2S)-2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]acetic acid
CID 66512908
(2S)-2-amino-2-[4-(dimethylamino)phenyl]acetic acid
CID 7022656
(2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)acetic acid
CID 130605598
2-amino-2-(3,4-difluorophenyl)acetic acid;hydrochloride
CID 24730258
2-amino-2-(3-bromo-4-fluoro-2-methylphenyl)acetic acid
CID 84806894
2,3-bis(dimethylamino)-6-fluorobenzoic acid
CID 154184527

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(dimethylamino)-3,6-difluorophenyl]acetic acid?
The IUPAC name of 2-amino-2-[2-(dimethylamino)-3,6-difluorophenyl]acetic acid (CID 117115111) is 2-amino-2-[2-(dimethylamino)-3,6-difluorophenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(dimethylamino)-3,6-difluorophenyl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(dimethylamino)-3,6-difluorophenyl]acetic acid is CN(C)c1c(F)ccc(F)c1C(N)C(=O)O.
What is the InChIKey of 2-amino-2-[2-(dimethylamino)-3,6-difluorophenyl]acetic acid?
The InChIKey is ALZKQIZKUHLSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-14(2)9-6(12)4-3-5(11)7(9)8(13)10(15)16/h3-4,8H,13H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-2-[2-(dimethylamino)-3,6-difluorophenyl]acetic acid?
2-amino-2-[2-(dimethylamino)-3,6-difluorophenyl]acetic acid has a molecular weight of 230.21 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(dimethylamino)-3,6-difluorophenyl]acetic acid is sourced from PubChem (CID 117115111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).