2-amino-2-(2,3-dimethyl-7H-imidazo[1,2-a]imidazol-6-yl)acetic acid

C9H12N4O2 — CID 82395432

IUPAC2-amino-2-(2,3-dimethyl-7H-imidazo[1,2-a]imidazol-6-yl)acetic acid
SMILESCc1nc2[nH]c(C(N)C(=O)O)cn2c1C
InChIInChI=1S/C9H12N4O2/c1-4-5(2)13-3-6(7(10)8(14)15)12-9(13)11-4/h3,7H,10H2,1-2H3,(H,11,12)(H,14,15)
InChIKeyXTYOGULUIVFKOU-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.36
Rot. Bonds2

About 2-amino-2-(2,3-dimethyl-7H-imidazo[1,2-a]imidazol-6-yl)acetic acid

2-amino-2-(2,3-dimethyl-7H-imidazo[1,2-a]imidazol-6-yl)acetic acid (PubChem CID 82395432) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-amino-2-(2,3-dimethyl-7H-imidazo[1,2-a]imidazol-6-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2,3-dimethyl-7H-imidazo[1,2-a]imidazol-6-yl)acetic acid
PubChem CID82395432
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name2-amino-2-(2,3-dimethyl-7H-imidazo[1,2-a]imidazol-6-yl)acetic acid
SMILESCc1nc2[nH]c(C(N)C(=O)O)cn2c1C
InChIInChI=1S/C9H12N4O2/c1-4-5(2)13-3-6(7(10)8(14)15)12-9(13)11-4/h3,7H,10H2,1-2H3,(H,11,12)(H,14,15)
InChIKeyXTYOGULUIVFKOU-UHFFFAOYSA-N
XLogP0.36
TPSA96.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,3-dimethyl-7H-imidazo[1,2-a]imidazol-6-yl)acetic acid?
The IUPAC name of 2-amino-2-(2,3-dimethyl-7H-imidazo[1,2-a]imidazol-6-yl)acetic acid (CID 82395432) is 2-amino-2-(2,3-dimethyl-7H-imidazo[1,2-a]imidazol-6-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(2,3-dimethyl-7H-imidazo[1,2-a]imidazol-6-yl)acetic acid?
The canonical SMILES for 2-amino-2-(2,3-dimethyl-7H-imidazo[1,2-a]imidazol-6-yl)acetic acid is Cc1nc2[nH]c(C(N)C(=O)O)cn2c1C.
What is the InChIKey of 2-amino-2-(2,3-dimethyl-7H-imidazo[1,2-a]imidazol-6-yl)acetic acid?
The InChIKey is XTYOGULUIVFKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-4-5(2)13-3-6(7(10)8(14)15)12-9(13)11-4/h3,7H,10H2,1-2H3,(H,11,12)(H,14,15).
What are the key properties of 2-amino-2-(2,3-dimethyl-7H-imidazo[1,2-a]imidazol-6-yl)acetic acid?
2-amino-2-(2,3-dimethyl-7H-imidazo[1,2-a]imidazol-6-yl)acetic acid has a molecular weight of 208.22 g/mol, XLogP of 0.36, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,3-dimethyl-7H-imidazo[1,2-a]imidazol-6-yl)acetic acid is sourced from PubChem (CID 82395432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).