[3-amino-1-(1-methylimidazol-4-yl)butan-2-yl] acetate

C10H17N3O2 — CID 66681012

IUPAC[3-amino-1-(1-methylimidazol-4-yl)butan-2-yl] acetate
SMILESCC(=O)OC(Cc1cn(C)cn1)C(C)N
InChIInChI=1S/C10H17N3O2/c1-7(11)10(15-8(2)14)4-9-5-13(3)6-12-9/h5-7,10H,4,11H2,1-3H3
InChIKeyGSSAJDMWYMAWHX-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.24
Rot. Bonds4

About [3-amino-1-(1-methylimidazol-4-yl)butan-2-yl] acetate

[3-amino-1-(1-methylimidazol-4-yl)butan-2-yl] acetate (PubChem CID 66681012) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is [3-amino-1-(1-methylimidazol-4-yl)butan-2-yl] acetate.

Molecular Properties

Compound Name[3-amino-1-(1-methylimidazol-4-yl)butan-2-yl] acetate
PubChem CID66681012
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name[3-amino-1-(1-methylimidazol-4-yl)butan-2-yl] acetate
SMILESCC(=O)OC(Cc1cn(C)cn1)C(C)N
InChIInChI=1S/C10H17N3O2/c1-7(11)10(15-8(2)14)4-9-5-13(3)6-12-9/h5-7,10H,4,11H2,1-3H3
InChIKeyGSSAJDMWYMAWHX-UHFFFAOYSA-N
XLogP0.24
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-amino-1-(1-methylimidazol-4-yl)butan-2-yl] acetate?
The IUPAC name of [3-amino-1-(1-methylimidazol-4-yl)butan-2-yl] acetate (CID 66681012) is [3-amino-1-(1-methylimidazol-4-yl)butan-2-yl] acetate.
What is the SMILES notation for [3-amino-1-(1-methylimidazol-4-yl)butan-2-yl] acetate?
The canonical SMILES for [3-amino-1-(1-methylimidazol-4-yl)butan-2-yl] acetate is CC(=O)OC(Cc1cn(C)cn1)C(C)N.
What is the InChIKey of [3-amino-1-(1-methylimidazol-4-yl)butan-2-yl] acetate?
The InChIKey is GSSAJDMWYMAWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(11)10(15-8(2)14)4-9-5-13(3)6-12-9/h5-7,10H,4,11H2,1-3H3.
What are the key properties of [3-amino-1-(1-methylimidazol-4-yl)butan-2-yl] acetate?
[3-amino-1-(1-methylimidazol-4-yl)butan-2-yl] acetate has a molecular weight of 211.26 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-1-(1-methylimidazol-4-yl)butan-2-yl] acetate is sourced from PubChem (CID 66681012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).