2-(dimethylamino)-3-(1,2-dimethylimidazol-4-yl)propanoic acid

C10H17N3O2 — CID 118540409

IUPAC2-(dimethylamino)-3-(1,2-dimethylimidazol-4-yl)propanoic acid
SMILESCc1nc(CC(C(=O)O)N(C)C)cn1C
InChIInChI=1S/C10H17N3O2/c1-7-11-8(6-13(7)4)5-9(10(14)15)12(2)3/h6,9H,5H2,1-4H3,(H,14,15)
InChIKeyZVHFLJBEYVWCJF-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.29
Rot. Bonds4

About 2-(dimethylamino)-3-(1,2-dimethylimidazol-4-yl)propanoic acid

2-(dimethylamino)-3-(1,2-dimethylimidazol-4-yl)propanoic acid (PubChem CID 118540409) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(dimethylamino)-3-(1,2-dimethylimidazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(dimethylamino)-3-(1,2-dimethylimidazol-4-yl)propanoic acid
PubChem CID118540409
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(dimethylamino)-3-(1,2-dimethylimidazol-4-yl)propanoic acid
SMILESCc1nc(CC(C(=O)O)N(C)C)cn1C
InChIInChI=1S/C10H17N3O2/c1-7-11-8(6-13(7)4)5-9(10(14)15)12(2)3/h6,9H,5H2,1-4H3,(H,14,15)
InChIKeyZVHFLJBEYVWCJF-UHFFFAOYSA-N
XLogP0.29
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-(1,2-dimethylimidazol-4-yl)propanoic acid?
The IUPAC name of 2-(dimethylamino)-3-(1,2-dimethylimidazol-4-yl)propanoic acid (CID 118540409) is 2-(dimethylamino)-3-(1,2-dimethylimidazol-4-yl)propanoic acid.
What is the SMILES notation for 2-(dimethylamino)-3-(1,2-dimethylimidazol-4-yl)propanoic acid?
The canonical SMILES for 2-(dimethylamino)-3-(1,2-dimethylimidazol-4-yl)propanoic acid is Cc1nc(CC(C(=O)O)N(C)C)cn1C.
What is the InChIKey of 2-(dimethylamino)-3-(1,2-dimethylimidazol-4-yl)propanoic acid?
The InChIKey is ZVHFLJBEYVWCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-11-8(6-13(7)4)5-9(10(14)15)12(2)3/h6,9H,5H2,1-4H3,(H,14,15).
What are the key properties of 2-(dimethylamino)-3-(1,2-dimethylimidazol-4-yl)propanoic acid?
2-(dimethylamino)-3-(1,2-dimethylimidazol-4-yl)propanoic acid has a molecular weight of 211.26 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-(1,2-dimethylimidazol-4-yl)propanoic acid is sourced from PubChem (CID 118540409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).