3-amino-3-(5-methyl-1H-imidazol-4-yl)propanoic acid

C7H11N3O2 — CID 55255028

IUPAC3-amino-3-(5-methyl-1H-imidazol-4-yl)propanoic acid
SMILESCc1[nH]cnc1C(N)CC(=O)O
InChIInChI=1S/C7H11N3O2/c1-4-7(10-3-9-4)5(8)2-6(11)12/h3,5H,2,8H2,1H3,(H,9,10)(H,11,12)
InChIKeyVDTVVQAIPUVMLB-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.19
Rot. Bonds3

About 3-amino-3-(5-methyl-1H-imidazol-4-yl)propanoic acid

3-amino-3-(5-methyl-1H-imidazol-4-yl)propanoic acid (PubChem CID 55255028) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-amino-3-(5-methyl-1H-imidazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(5-methyl-1H-imidazol-4-yl)propanoic acid
PubChem CID55255028
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name3-amino-3-(5-methyl-1H-imidazol-4-yl)propanoic acid
SMILESCc1[nH]cnc1C(N)CC(=O)O
InChIInChI=1S/C7H11N3O2/c1-4-7(10-3-9-4)5(8)2-6(11)12/h3,5H,2,8H2,1H3,(H,9,10)(H,11,12)
InChIKeyVDTVVQAIPUVMLB-UHFFFAOYSA-N
XLogP0.19
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5-methyl-1H-imidazol-4-yl)propanoic acid?
The IUPAC name of 3-amino-3-(5-methyl-1H-imidazol-4-yl)propanoic acid (CID 55255028) is 3-amino-3-(5-methyl-1H-imidazol-4-yl)propanoic acid.
What is the SMILES notation for 3-amino-3-(5-methyl-1H-imidazol-4-yl)propanoic acid?
The canonical SMILES for 3-amino-3-(5-methyl-1H-imidazol-4-yl)propanoic acid is Cc1[nH]cnc1C(N)CC(=O)O.
What is the InChIKey of 3-amino-3-(5-methyl-1H-imidazol-4-yl)propanoic acid?
The InChIKey is VDTVVQAIPUVMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4-7(10-3-9-4)5(8)2-6(11)12/h3,5H,2,8H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 3-amino-3-(5-methyl-1H-imidazol-4-yl)propanoic acid?
3-amino-3-(5-methyl-1H-imidazol-4-yl)propanoic acid has a molecular weight of 169.18 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(5-methyl-1H-imidazol-4-yl)propanoic acid is sourced from PubChem (CID 55255028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).