2,2,3-trimethyl-4-oxo-4-(propan-2-ylamino)butanoic acid

C10H19NO3 — CID 58462322

IUPAC2,2,3-trimethyl-4-oxo-4-(propan-2-ylamino)butanoic acid
SMILESCC(C)NC(=O)C(C)C(C)(C)C(=O)O
InChIInChI=1S/C10H19NO3/c1-6(2)11-8(12)7(3)10(4,5)9(13)14/h6-7H,1-5H3,(H,11,12)(H,13,14)
InChIKeyHFYYYBZISJXGFO-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.26
Rot. Bonds4

About 2,2,3-trimethyl-4-oxo-4-(propan-2-ylamino)butanoic acid

2,2,3-trimethyl-4-oxo-4-(propan-2-ylamino)butanoic acid (PubChem CID 58462322) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2,2,3-trimethyl-4-oxo-4-(propan-2-ylamino)butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-4-oxo-4-(propan-2-ylamino)butanoic acid
PubChem CID58462322
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2,2,3-trimethyl-4-oxo-4-(propan-2-ylamino)butanoic acid
SMILESCC(C)NC(=O)C(C)C(C)(C)C(=O)O
InChIInChI=1S/C10H19NO3/c1-6(2)11-8(12)7(3)10(4,5)9(13)14/h6-7H,1-5H3,(H,11,12)(H,13,14)
InChIKeyHFYYYBZISJXGFO-UHFFFAOYSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide
CID 130717889
(2R)-3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide
CID 138551992
4-amino-2,2,3-trimethyl-4-oxobutanoic acid
CID 91540382
2,2,3-trimethyl-4-oxohexanoic acid
CID 88507803
3-(dimethylamino)-2,2-dimethylbutanoic acid
CID 115012461
2,2-dimethyl-3-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoylamino]propanoic acid
CID 113407992
2,2-dimethyl-3-sulfanylbutanoic acid
CID 87558354
2,2-dimethyl-N,N'-di(propan-2-yl)propanediamide
CID 108957169
2-ethyl-2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]butanoic acid
CID 79810156
2-(tert-butylcarbamoylamino)-N-propan-2-ylpropanamide
CID 116657668
2,2,3-trimethyl-3-(propan-2-ylcarbamoylamino)butanoic acid
CID 65266300
3-(2,3,3-trimethylbutanoylamino)butanoic acid
CID 119347954

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-4-oxo-4-(propan-2-ylamino)butanoic acid?
The IUPAC name of 2,2,3-trimethyl-4-oxo-4-(propan-2-ylamino)butanoic acid (CID 58462322) is 2,2,3-trimethyl-4-oxo-4-(propan-2-ylamino)butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-4-oxo-4-(propan-2-ylamino)butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-4-oxo-4-(propan-2-ylamino)butanoic acid is CC(C)NC(=O)C(C)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-4-oxo-4-(propan-2-ylamino)butanoic acid?
The InChIKey is HFYYYBZISJXGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-6(2)11-8(12)7(3)10(4,5)9(13)14/h6-7H,1-5H3,(H,11,12)(H,13,14).
What are the key properties of 2,2,3-trimethyl-4-oxo-4-(propan-2-ylamino)butanoic acid?
2,2,3-trimethyl-4-oxo-4-(propan-2-ylamino)butanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-4-oxo-4-(propan-2-ylamino)butanoic acid is sourced from PubChem (CID 58462322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).