2-amino-3-(1,3-dimethyl-2H-imidazol-4-yl)propanoic acid

C8H15N3O2 — CID 66672350

IUPAC2-amino-3-(1,3-dimethyl-2H-imidazol-4-yl)propanoic acid
SMILESCN1C=C(CC(N)C(=O)O)N(C)C1
InChIInChI=1S/C8H15N3O2/c1-10-4-6(11(2)5-10)3-7(9)8(12)13/h4,7H,3,5,9H2,1-2H3,(H,12,13)
InChIKeyGDFOHQHGOFXUAS-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.54
Rot. Bonds3

About 2-amino-3-(1,3-dimethyl-2H-imidazol-4-yl)propanoic acid

2-amino-3-(1,3-dimethyl-2H-imidazol-4-yl)propanoic acid (PubChem CID 66672350) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-amino-3-(1,3-dimethyl-2H-imidazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(1,3-dimethyl-2H-imidazol-4-yl)propanoic acid
PubChem CID66672350
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name2-amino-3-(1,3-dimethyl-2H-imidazol-4-yl)propanoic acid
SMILESCN1C=C(CC(N)C(=O)O)N(C)C1
InChIInChI=1S/C8H15N3O2/c1-10-4-6(11(2)5-10)3-7(9)8(12)13/h4,7H,3,5,9H2,1-2H3,(H,12,13)
InChIKeyGDFOHQHGOFXUAS-UHFFFAOYSA-N
XLogP-0.54
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1,3-dimethyl-2H-imidazol-4-yl)propanoic acid?
The IUPAC name of 2-amino-3-(1,3-dimethyl-2H-imidazol-4-yl)propanoic acid (CID 66672350) is 2-amino-3-(1,3-dimethyl-2H-imidazol-4-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(1,3-dimethyl-2H-imidazol-4-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(1,3-dimethyl-2H-imidazol-4-yl)propanoic acid is CN1C=C(CC(N)C(=O)O)N(C)C1.
What is the InChIKey of 2-amino-3-(1,3-dimethyl-2H-imidazol-4-yl)propanoic acid?
The InChIKey is GDFOHQHGOFXUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-10-4-6(11(2)5-10)3-7(9)8(12)13/h4,7H,3,5,9H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-3-(1,3-dimethyl-2H-imidazol-4-yl)propanoic acid?
2-amino-3-(1,3-dimethyl-2H-imidazol-4-yl)propanoic acid has a molecular weight of 185.23 g/mol, XLogP of -0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1,3-dimethyl-2H-imidazol-4-yl)propanoic acid is sourced from PubChem (CID 66672350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).