2-amino-2-(4-amino-2-fluorophenyl)acetic acid

C8H9FN2O2 — CID 77128000

IUPAC2-amino-2-(4-amino-2-fluorophenyl)acetic acid
SMILESNc1ccc(C(N)C(=O)O)c(F)c1
InChIInChI=1S/C8H9FN2O2/c9-6-3-4(10)1-2-5(6)7(11)8(12)13/h1-3,7H,10-11H2,(H,12,13)
InChIKeyZCGPCZFXACYUFE-UHFFFAOYSA-N
MW184.17 g/mol
LogP0.49
Rot. Bonds2

About 2-amino-2-(4-amino-2-fluorophenyl)acetic acid

2-amino-2-(4-amino-2-fluorophenyl)acetic acid (PubChem CID 77128000) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is 2-amino-2-(4-amino-2-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(4-amino-2-fluorophenyl)acetic acid
PubChem CID77128000
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name2-amino-2-(4-amino-2-fluorophenyl)acetic acid
SMILESNc1ccc(C(N)C(=O)O)c(F)c1
InChIInChI=1S/C8H9FN2O2/c9-6-3-4(10)1-2-5(6)7(11)8(12)13/h1-3,7H,10-11H2,(H,12,13)
InChIKeyZCGPCZFXACYUFE-UHFFFAOYSA-N
XLogP0.49
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-2-(2-fluoro-4-iodophenyl)acetic acid
CID 66513291
(3R)-3-amino-3-(4-amino-2-fluorophenyl)propanoic acid
CID 130625917
(2S)-2-amino-2-(5-amino-2-chlorophenyl)acetic acid
CID 66510542
2-amino-2-(4-ethoxy-2-fluorophenyl)acetic acid
CID 84679537
sodium;2-amino-2-(2-fluorophenyl)acetic acid;hydride
CID 173282392
(2R)-2-amino-2-(2-amino-3,5-difluorophenyl)acetic acid
CID 130632470
(1S)-1-(4-amino-2-fluorophenyl)ethane-1,2-diamine
CID 55275012
(2S)-2-amino-2-(2-chloro-4-fluorophenyl)acetic acid
CID 66510702
2-amino-2-(3-bromo-4-fluoro-2-methylphenyl)acetic acid
CID 84806894
2-amino-2-(4-chloro-3-fluoro-2-methylphenyl)acetic acid
CID 84785718
(2S)-2-amino-2-(4-chloro-2-hydroxyphenyl)acetic acid
CID 66510595
(2S)-2-amino-2-(2-fluoro-5-methoxyphenyl)acetic acid
CID 66510641

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-amino-2-fluorophenyl)acetic acid?
The IUPAC name of 2-amino-2-(4-amino-2-fluorophenyl)acetic acid (CID 77128000) is 2-amino-2-(4-amino-2-fluorophenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(4-amino-2-fluorophenyl)acetic acid?
The canonical SMILES for 2-amino-2-(4-amino-2-fluorophenyl)acetic acid is Nc1ccc(C(N)C(=O)O)c(F)c1.
What is the InChIKey of 2-amino-2-(4-amino-2-fluorophenyl)acetic acid?
The InChIKey is ZCGPCZFXACYUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c9-6-3-4(10)1-2-5(6)7(11)8(12)13/h1-3,7H,10-11H2,(H,12,13).
What are the key properties of 2-amino-2-(4-amino-2-fluorophenyl)acetic acid?
2-amino-2-(4-amino-2-fluorophenyl)acetic acid has a molecular weight of 184.17 g/mol, XLogP of 0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-amino-2-fluorophenyl)acetic acid is sourced from PubChem (CID 77128000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).