4-[acetyl(methyl)amino]-2,3,3,4-tetramethylpentanoic acid

C12H23NO3 — CID 87103267

IUPAC4-[acetyl(methyl)amino]-2,3,3,4-tetramethylpentanoic acid
SMILESCC(=O)N(C)C(C)(C)C(C)(C)C(C)C(=O)O
InChIInChI=1S/C12H23NO3/c1-8(10(15)16)11(3,4)12(5,6)13(7)9(2)14/h8H,1-7H3,(H,15,16)
InChIKeyQZPHZRXSODFAEX-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.99
Rot. Bonds4

About 4-[acetyl(methyl)amino]-2,3,3,4-tetramethylpentanoic acid

4-[acetyl(methyl)amino]-2,3,3,4-tetramethylpentanoic acid (PubChem CID 87103267) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-[acetyl(methyl)amino]-2,3,3,4-tetramethylpentanoic acid.

Molecular Properties

Compound Name4-[acetyl(methyl)amino]-2,3,3,4-tetramethylpentanoic acid
PubChem CID87103267
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name4-[acetyl(methyl)amino]-2,3,3,4-tetramethylpentanoic acid
SMILESCC(=O)N(C)C(C)(C)C(C)(C)C(C)C(=O)O
InChIInChI=1S/C12H23NO3/c1-8(10(15)16)11(3,4)12(5,6)13(7)9(2)14/h8H,1-7H3,(H,15,16)
InChIKeyQZPHZRXSODFAEX-UHFFFAOYSA-N
XLogP1.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Dimethylamino)-2,2,3-trimethylpentanoic acid
CID 54072392
2-[2-[Ethyl(propyl)amino]-2-oxoethyl]-3,3-dimethylbutanoic acid
CID 57077743
1-(2,2,4-Trimethylpentanoyl)piperidine-4-carboxylic acid
CID 57700710
1-(4,4-Dimethylpentanoyl)piperidine-4-carboxylic acid
CID 69810805
1-(2,2-Dimethylpentanoyl)piperidine-4-carboxylic acid
CID 70314282
4-(Dimethylamino)-2,3,3,4-tetramethylpentanoic acid
CID 87103286
4-(Dimethylamino)-2,2,4-trimethylpentanoic acid
CID 91611216
(1R,3S)-1-tert-butyl-3,4-dimethylpiperidin-1-ium-1,4-dicarboxylic acid
CID 118235527
4-[Acetyl(2-methylpropanoyl)amino]-2,2,4-trimethylhexanoic acid
CID 123290025
4-[Methyl(3,5,5-trimethylhexan-3-yl)amino]-4-oxobutanoic acid
CID 123777926
(4-Carboxy-2,4-dimethylpentan-2-yl)-trimethylazanium
CID 132064359
3-(Dimethylcarbamoyl)-4-methylpentanoic acid
CID 159893110

Frequently Asked Questions

What is the IUPAC name of 4-[acetyl(methyl)amino]-2,3,3,4-tetramethylpentanoic acid?
The IUPAC name of 4-[acetyl(methyl)amino]-2,3,3,4-tetramethylpentanoic acid (CID 87103267) is 4-[acetyl(methyl)amino]-2,3,3,4-tetramethylpentanoic acid.
What is the SMILES notation for 4-[acetyl(methyl)amino]-2,3,3,4-tetramethylpentanoic acid?
The canonical SMILES for 4-[acetyl(methyl)amino]-2,3,3,4-tetramethylpentanoic acid is CC(=O)N(C)C(C)(C)C(C)(C)C(C)C(=O)O.
What is the InChIKey of 4-[acetyl(methyl)amino]-2,3,3,4-tetramethylpentanoic acid?
The InChIKey is QZPHZRXSODFAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-8(10(15)16)11(3,4)12(5,6)13(7)9(2)14/h8H,1-7H3,(H,15,16).
What are the key properties of 4-[acetyl(methyl)amino]-2,3,3,4-tetramethylpentanoic acid?
4-[acetyl(methyl)amino]-2,3,3,4-tetramethylpentanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.99, 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]-2,3,3,4-tetramethylpentanoic acid is sourced from PubChem (CID 87103267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).