3-methyl-3-(2-oxopropylamino)butan-2-one

C8H15NO2 — CID 575017

IUPAC3-methyl-3-(2-oxopropylamino)butan-2-one
SMILESCC(=O)CNC(C)(C)C(C)=O
InChIInChI=1S/C8H15NO2/c1-6(10)5-9-8(3,4)7(2)11/h9H,5H2,1-4H3
InChIKeyTYNBZYAZJLLUKT-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.53
Rot. Bonds4

About 3-methyl-3-(2-oxopropylamino)butan-2-one

3-methyl-3-(2-oxopropylamino)butan-2-one (PubChem CID 575017) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-methyl-3-(2-oxopropylamino)butan-2-one.

Molecular Properties

Compound Name3-methyl-3-(2-oxopropylamino)butan-2-one
PubChem CID575017
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-methyl-3-(2-oxopropylamino)butan-2-one
SMILESCC(=O)CNC(C)(C)C(C)=O
InChIInChI=1S/C8H15NO2/c1-6(10)5-9-8(3,4)7(2)11/h9H,5H2,1-4H3
InChIKeyTYNBZYAZJLLUKT-UHFFFAOYSA-N
XLogP0.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-oxopropylamino)butan-2-one?
The IUPAC name of 3-methyl-3-(2-oxopropylamino)butan-2-one (CID 575017) is 3-methyl-3-(2-oxopropylamino)butan-2-one.
What is the SMILES notation for 3-methyl-3-(2-oxopropylamino)butan-2-one?
The canonical SMILES for 3-methyl-3-(2-oxopropylamino)butan-2-one is CC(=O)CNC(C)(C)C(C)=O.
What is the InChIKey of 3-methyl-3-(2-oxopropylamino)butan-2-one?
The InChIKey is TYNBZYAZJLLUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(10)5-9-8(3,4)7(2)11/h9H,5H2,1-4H3.
What are the key properties of 3-methyl-3-(2-oxopropylamino)butan-2-one?
3-methyl-3-(2-oxopropylamino)butan-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-oxopropylamino)butan-2-one is sourced from PubChem (CID 575017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).