4-[acetyl(methyl)amino]-2,2,4-trimethylpentanoic acid

C11H21NO3 — CID 163781024

IUPAC4-[acetyl(methyl)amino]-2,2,4-trimethylpentanoic acid
SMILESCC(=O)N(C)C(C)(C)CC(C)(C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-8(13)12(6)11(4,5)7-10(2,3)9(14)15/h7H2,1-6H3,(H,14,15)
InChIKeyMOPCQTUNHQIPEA-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.74
Rot. Bonds4

About 4-[acetyl(methyl)amino]-2,2,4-trimethylpentanoic acid

4-[acetyl(methyl)amino]-2,2,4-trimethylpentanoic acid (PubChem CID 163781024) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-[acetyl(methyl)amino]-2,2,4-trimethylpentanoic acid.

Molecular Properties

Compound Name4-[acetyl(methyl)amino]-2,2,4-trimethylpentanoic acid
PubChem CID163781024
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-[acetyl(methyl)amino]-2,2,4-trimethylpentanoic acid
SMILESCC(=O)N(C)C(C)(C)CC(C)(C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-8(13)12(6)11(4,5)7-10(2,3)9(14)15/h7H2,1-6H3,(H,14,15)
InChIKeyMOPCQTUNHQIPEA-UHFFFAOYSA-N
XLogP1.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[acetyl(methyl)amino]-2,2,4-trimethylpentanoic acid?
The IUPAC name of 4-[acetyl(methyl)amino]-2,2,4-trimethylpentanoic acid (CID 163781024) is 4-[acetyl(methyl)amino]-2,2,4-trimethylpentanoic acid.
What is the SMILES notation for 4-[acetyl(methyl)amino]-2,2,4-trimethylpentanoic acid?
The canonical SMILES for 4-[acetyl(methyl)amino]-2,2,4-trimethylpentanoic acid is CC(=O)N(C)C(C)(C)CC(C)(C)C(=O)O.
What is the InChIKey of 4-[acetyl(methyl)amino]-2,2,4-trimethylpentanoic acid?
The InChIKey is MOPCQTUNHQIPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(13)12(6)11(4,5)7-10(2,3)9(14)15/h7H2,1-6H3,(H,14,15).
What are the key properties of 4-[acetyl(methyl)amino]-2,2,4-trimethylpentanoic acid?
4-[acetyl(methyl)amino]-2,2,4-trimethylpentanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[acetyl(methyl)amino]-2,2,4-trimethylpentanoic acid is sourced from PubChem (CID 163781024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).