[acetyl(2,3-dimethylbut-3-en-2-yl)amino] acetate

C10H17NO3 — CID 10774372

IUPAC[acetyl(2,3-dimethylbut-3-en-2-yl)amino] acetate
SMILESC=C(C)C(C)(C)N(OC(C)=O)C(C)=O
InChIInChI=1S/C10H17NO3/c1-7(2)10(5,6)11(8(3)12)14-9(4)13/h1H2,2-6H3
InChIKeyBUOQIELNZWJCDF-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.67
Rot. Bonds2

About [acetyl(2,3-dimethylbut-3-en-2-yl)amino] acetate

[acetyl(2,3-dimethylbut-3-en-2-yl)amino] acetate (PubChem CID 10774372) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is [acetyl(2,3-dimethylbut-3-en-2-yl)amino] acetate.

Molecular Properties

Compound Name[acetyl(2,3-dimethylbut-3-en-2-yl)amino] acetate
PubChem CID10774372
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name[acetyl(2,3-dimethylbut-3-en-2-yl)amino] acetate
SMILESC=C(C)C(C)(C)N(OC(C)=O)C(C)=O
InChIInChI=1S/C10H17NO3/c1-7(2)10(5,6)11(8(3)12)14-9(4)13/h1H2,2-6H3
InChIKeyBUOQIELNZWJCDF-UHFFFAOYSA-N
XLogP1.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [acetyl(2,3-dimethylbut-3-en-2-yl)amino] acetate?
The IUPAC name of [acetyl(2,3-dimethylbut-3-en-2-yl)amino] acetate (CID 10774372) is [acetyl(2,3-dimethylbut-3-en-2-yl)amino] acetate.
What is the SMILES notation for [acetyl(2,3-dimethylbut-3-en-2-yl)amino] acetate?
The canonical SMILES for [acetyl(2,3-dimethylbut-3-en-2-yl)amino] acetate is C=C(C)C(C)(C)N(OC(C)=O)C(C)=O.
What is the InChIKey of [acetyl(2,3-dimethylbut-3-en-2-yl)amino] acetate?
The InChIKey is BUOQIELNZWJCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(2)10(5,6)11(8(3)12)14-9(4)13/h1H2,2-6H3.
What are the key properties of [acetyl(2,3-dimethylbut-3-en-2-yl)amino] acetate?
[acetyl(2,3-dimethylbut-3-en-2-yl)amino] acetate has a molecular weight of 199.25 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyl(2,3-dimethylbut-3-en-2-yl)amino] acetate is sourced from PubChem (CID 10774372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).