3-[(2-methoxy-2-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid

C13H25NO4 — CID 114105249

IUPAC3-[(2-methoxy-2-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid
SMILESCCC(C)(OC)C(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H25NO4/c1-8-13(6,18-7)9(15)14-12(4,5)11(2,3)10(16)17/h8H2,1-7H3,(H,14,15)(H,16,17)
InChIKeyFYYZMRVPEHWVSZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.81
Rot. Bonds6

About 3-[(2-methoxy-2-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid

3-[(2-methoxy-2-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid (PubChem CID 114105249) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[(2-methoxy-2-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[(2-methoxy-2-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid
PubChem CID114105249
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name3-[(2-methoxy-2-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid
SMILESCCC(C)(OC)C(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H25NO4/c1-8-13(6,18-7)9(15)14-12(4,5)11(2,3)10(16)17/h8H2,1-7H3,(H,14,15)(H,16,17)
InChIKeyFYYZMRVPEHWVSZ-UHFFFAOYSA-N
XLogP1.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65265679
3-[(2-methoxyacetyl)amino]-2,2,3-trimethylbutanoic acid
CID 65261289
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methoxy-2-methylbutanamide
CID 114106266
3-(diethylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265975
3-(1-methoxypropan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65266413
3-(dibutylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65266173
2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylbutanoic acid
CID 103018984
N-[2-(aminomethyl)-2-ethylbutyl]-2-methoxy-2-methylbutanamide
CID 114164008
3-(3-ethylpentan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265715
2,2,3-trimethyl-3-(propan-2-ylcarbamoylamino)butanoic acid
CID 65266300
N-(2-amino-3-ethylpentyl)-2-methoxy-2-methylbutanamide
CID 106285954
3-[[ethyl(propyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266331

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-2-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[(2-methoxy-2-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid (CID 114105249) is 3-[(2-methoxy-2-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[(2-methoxy-2-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[(2-methoxy-2-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid is CCC(C)(OC)C(=O)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 3-[(2-methoxy-2-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid?
The InChIKey is FYYZMRVPEHWVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-8-13(6,18-7)9(15)14-12(4,5)11(2,3)10(16)17/h8H2,1-7H3,(H,14,15)(H,16,17).
What are the key properties of 3-[(2-methoxy-2-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid?
3-[(2-methoxy-2-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid has a molecular weight of 259.35 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-2-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 114105249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).