4-(2,2-dimethylbutanoylamino)-2,2-dimethylpentanoic acid

C13H25NO3 — CID 146339486

IUPAC4-(2,2-dimethylbutanoylamino)-2,2-dimethylpentanoic acid
SMILESCCC(C)(C)C(=O)NC(C)CC(C)(C)C(=O)O
InChIInChI=1S/C13H25NO3/c1-7-12(3,4)10(15)14-9(2)8-13(5,6)11(16)17/h9H,7-8H2,1-6H3,(H,14,15)(H,16,17)
InChIKeyVVOQBASSDOEKAK-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.43
Rot. Bonds6

About 4-(2,2-dimethylbutanoylamino)-2,2-dimethylpentanoic acid

4-(2,2-dimethylbutanoylamino)-2,2-dimethylpentanoic acid (PubChem CID 146339486) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-(2,2-dimethylbutanoylamino)-2,2-dimethylpentanoic acid.

Molecular Properties

Compound Name4-(2,2-dimethylbutanoylamino)-2,2-dimethylpentanoic acid
PubChem CID146339486
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name4-(2,2-dimethylbutanoylamino)-2,2-dimethylpentanoic acid
SMILESCCC(C)(C)C(=O)NC(C)CC(C)(C)C(=O)O
InChIInChI=1S/C13H25NO3/c1-7-12(3,4)10(15)14-9(2)8-13(5,6)11(16)17/h9H,7-8H2,1-6H3,(H,14,15)(H,16,17)
InChIKeyVVOQBASSDOEKAK-UHFFFAOYSA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(2,2-dimethylbutanoylamino)-2,2-dimethylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-hydroxypropan-2-yl)-2,2-dimethylbutanamide
CID 62677681
N-(1-aminopropan-2-yl)-2,2-dimethylbutanamide
CID 63733019
N-(1-ethylsulfonylpropan-2-yl)-2,2-dimethylbutanamide
CID 71931421
2,2-dimethyl-N-(3-methylbutan-2-yl)butanamide
CID 123229484
2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)butanamide
CID 131998274
2,2-dimethylbutanoic acid;methane
CID 159782886
2,2,4-trimethylhexanoic acid
CID 15564208
2,2-dimethyl-N-(2-methylpropyl)butanamide
CID 4634733
N-(4,4-dimethylpentan-2-yl)-2,2,4,4,5,5-hexamethylhexanamide
CID 155457724
carbanide;2,2-dimethylbutanoic acid;yttrium
CID 58937622
carbanide;2,2-dimethylbutanoic acid;vanadium
CID 58461761
N-(1-amino-4-methylpentan-3-yl)-2,2-dimethylbutanamide
CID 106356781

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylbutanoylamino)-2,2-dimethylpentanoic acid?
The IUPAC name of 4-(2,2-dimethylbutanoylamino)-2,2-dimethylpentanoic acid (CID 146339486) is 4-(2,2-dimethylbutanoylamino)-2,2-dimethylpentanoic acid.
What is the SMILES notation for 4-(2,2-dimethylbutanoylamino)-2,2-dimethylpentanoic acid?
The canonical SMILES for 4-(2,2-dimethylbutanoylamino)-2,2-dimethylpentanoic acid is CCC(C)(C)C(=O)NC(C)CC(C)(C)C(=O)O.
What is the InChIKey of 4-(2,2-dimethylbutanoylamino)-2,2-dimethylpentanoic acid?
The InChIKey is VVOQBASSDOEKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-7-12(3,4)10(15)14-9(2)8-13(5,6)11(16)17/h9H,7-8H2,1-6H3,(H,14,15)(H,16,17).
What are the key properties of 4-(2,2-dimethylbutanoylamino)-2,2-dimethylpentanoic acid?
4-(2,2-dimethylbutanoylamino)-2,2-dimethylpentanoic acid has a molecular weight of 243.35 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylbutanoylamino)-2,2-dimethylpentanoic acid is sourced from PubChem (CID 146339486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).