[4-(2-aminoethyl)imidazol-1-yl] acetate

C7H11N3O2 — CID 67687708

IUPAC[4-(2-aminoethyl)imidazol-1-yl] acetate
SMILESCC(=O)On1cnc(CCN)c1
InChIInChI=1S/C7H11N3O2/c1-6(11)12-10-4-7(2-3-8)9-5-10/h4-5H,2-3,8H2,1H3
InChIKeyFOKYSYSPGCPMMB-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.64
Rot. Bonds3

About [4-(2-aminoethyl)imidazol-1-yl] acetate

[4-(2-aminoethyl)imidazol-1-yl] acetate (PubChem CID 67687708) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is [4-(2-aminoethyl)imidazol-1-yl] acetate.

Molecular Properties

Compound Name[4-(2-aminoethyl)imidazol-1-yl] acetate
PubChem CID67687708
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name[4-(2-aminoethyl)imidazol-1-yl] acetate
SMILESCC(=O)On1cnc(CCN)c1
InChIInChI=1S/C7H11N3O2/c1-6(11)12-10-4-7(2-3-8)9-5-10/h4-5H,2-3,8H2,1H3
InChIKeyFOKYSYSPGCPMMB-UHFFFAOYSA-N
XLogP-0.64
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)imidazol-1-yl] acetate?
The IUPAC name of [4-(2-aminoethyl)imidazol-1-yl] acetate (CID 67687708) is [4-(2-aminoethyl)imidazol-1-yl] acetate.
What is the SMILES notation for [4-(2-aminoethyl)imidazol-1-yl] acetate?
The canonical SMILES for [4-(2-aminoethyl)imidazol-1-yl] acetate is CC(=O)On1cnc(CCN)c1.
What is the InChIKey of [4-(2-aminoethyl)imidazol-1-yl] acetate?
The InChIKey is FOKYSYSPGCPMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-6(11)12-10-4-7(2-3-8)9-5-10/h4-5H,2-3,8H2,1H3.
What are the key properties of [4-(2-aminoethyl)imidazol-1-yl] acetate?
[4-(2-aminoethyl)imidazol-1-yl] acetate has a molecular weight of 169.18 g/mol, XLogP of -0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)imidazol-1-yl] acetate is sourced from PubChem (CID 67687708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).