2-amino-2-(1H-imidazol-2-yl)acetic acid

C5H7N3O2 — CID 4077973

IUPAC2-amino-2-(1H-imidazol-2-yl)acetic acid
SMILESNC(C(=O)O)c1ncc[nH]1
InChIInChI=1S/C5H7N3O2/c6-3(5(9)10)4-7-1-2-8-4/h1-3H,6H2,(H,7,8)(H,9,10)
InChIKeyMRMHPCVGLNDQPR-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.51
Rot. Bonds2

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

2-amino-2-(1H-imidazol-2-yl)acetic acid (PubChem CID 4077973) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 2-amino-2-(1H-imidazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(1H-imidazol-2-yl)acetic acid
PubChem CID4077973
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name2-amino-2-(1H-imidazol-2-yl)acetic acid
SMILESNC(C(=O)O)c1ncc[nH]1
InChIInChI=1S/C5H7N3O2/c6-3(5(9)10)4-7-1-2-8-4/h1-3H,6H2,(H,7,8)(H,9,10)
InChIKeyMRMHPCVGLNDQPR-UHFFFAOYSA-N
XLogP-0.51
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1H-imidazol-2-yl)acetic acid?
The IUPAC name of 2-amino-2-(1H-imidazol-2-yl)acetic acid (CID 4077973) is 2-amino-2-(1H-imidazol-2-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(1H-imidazol-2-yl)acetic acid?
The canonical SMILES for 2-amino-2-(1H-imidazol-2-yl)acetic acid is NC(C(=O)O)c1ncc[nH]1.
What is the InChIKey of 2-amino-2-(1H-imidazol-2-yl)acetic acid?
The InChIKey is MRMHPCVGLNDQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c6-3(5(9)10)4-7-1-2-8-4/h1-3H,6H2,(H,7,8)(H,9,10).
What are the key properties of 2-amino-2-(1H-imidazol-2-yl)acetic acid?
2-amino-2-(1H-imidazol-2-yl)acetic acid has a molecular weight of 141.13 g/mol, XLogP of -0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1H-imidazol-2-yl)acetic acid is sourced from PubChem (CID 4077973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).