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

C6H9N3O2 — CID 3662394

IUPAC2-amino-2-(5-methyl-1H-imidazol-4-yl)acetic acid
SMILESCc1[nH]cnc1C(N)C(=O)O
InChIInChI=1S/C6H9N3O2/c1-3-5(9-2-8-3)4(7)6(10)11/h2,4H,7H2,1H3,(H,8,9)(H,10,11)
InChIKeyLIOPTBCOZGZWHL-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.20
Rot. Bonds2

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

2-amino-2-(5-methyl-1H-imidazol-4-yl)acetic acid (PubChem CID 3662394) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-amino-2-(5-methyl-1H-imidazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(5-methyl-1H-imidazol-4-yl)acetic acid
PubChem CID3662394
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name2-amino-2-(5-methyl-1H-imidazol-4-yl)acetic acid
SMILESCc1[nH]cnc1C(N)C(=O)O
InChIInChI=1S/C6H9N3O2/c1-3-5(9-2-8-3)4(7)6(10)11/h2,4H,7H2,1H3,(H,8,9)(H,10,11)
InChIKeyLIOPTBCOZGZWHL-UHFFFAOYSA-N
XLogP-0.20
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-methyl-1H-imidazol-4-yl)acetic acid?
The IUPAC name of 2-amino-2-(5-methyl-1H-imidazol-4-yl)acetic acid (CID 3662394) is 2-amino-2-(5-methyl-1H-imidazol-4-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(5-methyl-1H-imidazol-4-yl)acetic acid?
The canonical SMILES for 2-amino-2-(5-methyl-1H-imidazol-4-yl)acetic acid is Cc1[nH]cnc1C(N)C(=O)O.
What is the InChIKey of 2-amino-2-(5-methyl-1H-imidazol-4-yl)acetic acid?
The InChIKey is LIOPTBCOZGZWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-3-5(9-2-8-3)4(7)6(10)11/h2,4H,7H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 2-amino-2-(5-methyl-1H-imidazol-4-yl)acetic acid?
2-amino-2-(5-methyl-1H-imidazol-4-yl)acetic acid has a molecular weight of 155.16 g/mol, XLogP of -0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-methyl-1H-imidazol-4-yl)acetic acid is sourced from PubChem (CID 3662394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).