methyl 2-[acetyl(methyl)amino]-2-methylbutanoate

C9H17NO3 — CID 20650078

IUPACmethyl 2-[acetyl(methyl)amino]-2-methylbutanoate
SMILESCCC(C)(C(=O)OC)N(C)C(C)=O
InChIInChI=1S/C9H17NO3/c1-6-9(3,8(12)13-5)10(4)7(2)11/h6H2,1-5H3
InChIKeyNPFJULFUSYUXQI-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.81
Rot. Bonds3

About methyl 2-[acetyl(methyl)amino]-2-methylbutanoate

methyl 2-[acetyl(methyl)amino]-2-methylbutanoate (PubChem CID 20650078) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 2-[acetyl(methyl)amino]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[acetyl(methyl)amino]-2-methylbutanoate
PubChem CID20650078
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 2-[acetyl(methyl)amino]-2-methylbutanoate
SMILESCCC(C)(C(=O)OC)N(C)C(C)=O
InChIInChI=1S/C9H17NO3/c1-6-9(3,8(12)13-5)10(4)7(2)11/h6H2,1-5H3
InChIKeyNPFJULFUSYUXQI-UHFFFAOYSA-N
XLogP0.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[acetyl(methyl)amino]-2-methylbutanoate?
The IUPAC name of methyl 2-[acetyl(methyl)amino]-2-methylbutanoate (CID 20650078) is methyl 2-[acetyl(methyl)amino]-2-methylbutanoate.
What is the SMILES notation for methyl 2-[acetyl(methyl)amino]-2-methylbutanoate?
The canonical SMILES for methyl 2-[acetyl(methyl)amino]-2-methylbutanoate is CCC(C)(C(=O)OC)N(C)C(C)=O.
What is the InChIKey of methyl 2-[acetyl(methyl)amino]-2-methylbutanoate?
The InChIKey is NPFJULFUSYUXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6-9(3,8(12)13-5)10(4)7(2)11/h6H2,1-5H3.
What are the key properties of methyl 2-[acetyl(methyl)amino]-2-methylbutanoate?
methyl 2-[acetyl(methyl)amino]-2-methylbutanoate has a molecular weight of 187.24 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[acetyl(methyl)amino]-2-methylbutanoate is sourced from PubChem (CID 20650078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).