2-amino-2-(2-fluoro-5-methyl-1H-imidazol-4-yl)acetic acid

C6H8FN3O2 — CID 178096030

IUPAC2-amino-2-(2-fluoro-5-methyl-1H-imidazol-4-yl)acetic acid
SMILESCc1[nH]c(F)nc1C(N)C(=O)O
InChIInChI=1S/C6H8FN3O2/c1-2-4(3(8)5(11)12)10-6(7)9-2/h3H,8H2,1H3,(H,9,10)(H,11,12)
InChIKeyHOWGMOZSYHTJQX-UHFFFAOYSA-N
MW173.15 g/mol
LogP-0.06
Rot. Bonds2

About 2-amino-2-(2-fluoro-5-methyl-1H-imidazol-4-yl)acetic acid

2-amino-2-(2-fluoro-5-methyl-1H-imidazol-4-yl)acetic acid (PubChem CID 178096030) has the molecular formula C6H8FN3O2 and a molecular weight of 173.15 g/mol. Its IUPAC name is 2-amino-2-(2-fluoro-5-methyl-1H-imidazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-fluoro-5-methyl-1H-imidazol-4-yl)acetic acid
PubChem CID178096030
Molecular FormulaC6H8FN3O2
Molecular Weight173.15 g/mol
Exact Mass173.06
IUPAC Name2-amino-2-(2-fluoro-5-methyl-1H-imidazol-4-yl)acetic acid
SMILESCc1[nH]c(F)nc1C(N)C(=O)O
InChIInChI=1S/C6H8FN3O2/c1-2-4(3(8)5(11)12)10-6(7)9-2/h3H,8H2,1H3,(H,9,10)(H,11,12)
InChIKeyHOWGMOZSYHTJQX-UHFFFAOYSA-N
XLogP-0.06
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.15
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-fluoro-5-methyl-1H-imidazol-4-yl)acetic acid?
The IUPAC name of 2-amino-2-(2-fluoro-5-methyl-1H-imidazol-4-yl)acetic acid (CID 178096030) is 2-amino-2-(2-fluoro-5-methyl-1H-imidazol-4-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-fluoro-5-methyl-1H-imidazol-4-yl)acetic acid?
The canonical SMILES for 2-amino-2-(2-fluoro-5-methyl-1H-imidazol-4-yl)acetic acid is Cc1[nH]c(F)nc1C(N)C(=O)O.
What is the InChIKey of 2-amino-2-(2-fluoro-5-methyl-1H-imidazol-4-yl)acetic acid?
The InChIKey is HOWGMOZSYHTJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3O2/c1-2-4(3(8)5(11)12)10-6(7)9-2/h3H,8H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-amino-2-(2-fluoro-5-methyl-1H-imidazol-4-yl)acetic acid?
2-amino-2-(2-fluoro-5-methyl-1H-imidazol-4-yl)acetic acid has a molecular weight of 173.15 g/mol, XLogP of -0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-fluoro-5-methyl-1H-imidazol-4-yl)acetic acid is sourced from PubChem (CID 178096030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).