(3-amino-2,3-dimethylbutan-2-yl) acetate

C8H17NO2 — CID 163657238

IUPAC(3-amino-2,3-dimethylbutan-2-yl) acetate
SMILESCC(=O)OC(C)(C)C(C)(C)N
InChIInChI=1S/C8H17NO2/c1-6(10)11-8(4,5)7(2,3)9/h9H2,1-5H3
InChIKeyIRHXIXKPGPUMAT-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.07
Rot. Bonds2

About (3-amino-2,3-dimethylbutan-2-yl) acetate

(3-amino-2,3-dimethylbutan-2-yl) acetate (PubChem CID 163657238) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (3-amino-2,3-dimethylbutan-2-yl) acetate.

Molecular Properties

Compound Name(3-amino-2,3-dimethylbutan-2-yl) acetate
PubChem CID163657238
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(3-amino-2,3-dimethylbutan-2-yl) acetate
SMILESCC(=O)OC(C)(C)C(C)(C)N
InChIInChI=1S/C8H17NO2/c1-6(10)11-8(4,5)7(2,3)9/h9H2,1-5H3
InChIKeyIRHXIXKPGPUMAT-UHFFFAOYSA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2,3-dimethylbutan-2-yl) acetate?
The IUPAC name of (3-amino-2,3-dimethylbutan-2-yl) acetate (CID 163657238) is (3-amino-2,3-dimethylbutan-2-yl) acetate.
What is the SMILES notation for (3-amino-2,3-dimethylbutan-2-yl) acetate?
The canonical SMILES for (3-amino-2,3-dimethylbutan-2-yl) acetate is CC(=O)OC(C)(C)C(C)(C)N.
What is the InChIKey of (3-amino-2,3-dimethylbutan-2-yl) acetate?
The InChIKey is IRHXIXKPGPUMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(10)11-8(4,5)7(2,3)9/h9H2,1-5H3.
What are the key properties of (3-amino-2,3-dimethylbutan-2-yl) acetate?
(3-amino-2,3-dimethylbutan-2-yl) acetate has a molecular weight of 159.23 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,3-dimethylbutan-2-yl) acetate is sourced from PubChem (CID 163657238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).