2-amino-2-(5-chloro-1-methylimidazol-2-yl)acetic acid

C6H8ClN3O2 — CID 130490759

IUPAC2-amino-2-(5-chloro-1-methylimidazol-2-yl)acetic acid
SMILESCn1c(Cl)cnc1C(N)C(=O)O
InChIInChI=1S/C6H8ClN3O2/c1-10-3(7)2-9-5(10)4(8)6(11)12/h2,4H,8H2,1H3,(H,11,12)
InChIKeyFXMRIBRQWZTRHU-UHFFFAOYSA-N
MW189.60 g/mol
LogP0.16
Rot. Bonds2

About 2-amino-2-(5-chloro-1-methylimidazol-2-yl)acetic acid

2-amino-2-(5-chloro-1-methylimidazol-2-yl)acetic acid (PubChem CID 130490759) has the molecular formula C6H8ClN3O2 and a molecular weight of 189.60 g/mol. Its IUPAC name is 2-amino-2-(5-chloro-1-methylimidazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(5-chloro-1-methylimidazol-2-yl)acetic acid
PubChem CID130490759
Molecular FormulaC6H8ClN3O2
Molecular Weight189.60 g/mol
Exact Mass189.03
IUPAC Name2-amino-2-(5-chloro-1-methylimidazol-2-yl)acetic acid
SMILESCn1c(Cl)cnc1C(N)C(=O)O
InChIInChI=1S/C6H8ClN3O2/c1-10-3(7)2-9-5(10)4(8)6(11)12/h2,4H,8H2,1H3,(H,11,12)
InChIKeyFXMRIBRQWZTRHU-UHFFFAOYSA-N
XLogP0.16
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.60
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-chloro-1-methylimidazol-2-yl)acetic acid?
The IUPAC name of 2-amino-2-(5-chloro-1-methylimidazol-2-yl)acetic acid (CID 130490759) is 2-amino-2-(5-chloro-1-methylimidazol-2-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(5-chloro-1-methylimidazol-2-yl)acetic acid?
The canonical SMILES for 2-amino-2-(5-chloro-1-methylimidazol-2-yl)acetic acid is Cn1c(Cl)cnc1C(N)C(=O)O.
What is the InChIKey of 2-amino-2-(5-chloro-1-methylimidazol-2-yl)acetic acid?
The InChIKey is FXMRIBRQWZTRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O2/c1-10-3(7)2-9-5(10)4(8)6(11)12/h2,4H,8H2,1H3,(H,11,12).
What are the key properties of 2-amino-2-(5-chloro-1-methylimidazol-2-yl)acetic acid?
2-amino-2-(5-chloro-1-methylimidazol-2-yl)acetic acid has a molecular weight of 189.60 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-chloro-1-methylimidazol-2-yl)acetic acid is sourced from PubChem (CID 130490759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).