2-[acetyl(methyl)amino]-2-methylpropanoic acid

C7H13NO3 — CID 23279431

IUPAC2-[acetyl(methyl)amino]-2-methylpropanoic acid
SMILESCC(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C7H13NO3/c1-5(9)8(4)7(2,3)6(10)11/h1-4H3,(H,10,11)
InChIKeyZUGVBQSJDWCALN-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.33
Rot. Bonds2

About 2-[acetyl(methyl)amino]-2-methylpropanoic acid

2-[acetyl(methyl)amino]-2-methylpropanoic acid (PubChem CID 23279431) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-2-methylpropanoic acid
PubChem CID23279431
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2-[acetyl(methyl)amino]-2-methylpropanoic acid
SMILESCC(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C7H13NO3/c1-5(9)8(4)7(2,3)6(10)11/h1-4H3,(H,10,11)
InChIKeyZUGVBQSJDWCALN-UHFFFAOYSA-N
XLogP0.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[acetyl(methyl)amino]-2-methylpropanoic acid (CID 23279431) is 2-[acetyl(methyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[acetyl(methyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[acetyl(methyl)amino]-2-methylpropanoic acid is CC(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[acetyl(methyl)amino]-2-methylpropanoic acid?
The InChIKey is ZUGVBQSJDWCALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5(9)8(4)7(2,3)6(10)11/h1-4H3,(H,10,11).
What are the key properties of 2-[acetyl(methyl)amino]-2-methylpropanoic acid?
2-[acetyl(methyl)amino]-2-methylpropanoic acid has a molecular weight of 159.18 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 23279431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).