3-(2,2-dimethylbutanoylamino)-2-hydroxy-2-methylpropanoic acid

C10H19NO4 — CID 66173185

IUPAC3-(2,2-dimethylbutanoylamino)-2-hydroxy-2-methylpropanoic acid
SMILESCCC(C)(C)C(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C10H19NO4/c1-5-9(2,3)7(12)11-6-10(4,15)8(13)14/h15H,5-6H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyWEYMQAZPOQSQJC-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.37
Rot. Bonds5

About 3-(2,2-dimethylbutanoylamino)-2-hydroxy-2-methylpropanoic acid

3-(2,2-dimethylbutanoylamino)-2-hydroxy-2-methylpropanoic acid (PubChem CID 66173185) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 3-(2,2-dimethylbutanoylamino)-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2,2-dimethylbutanoylamino)-2-hydroxy-2-methylpropanoic acid
PubChem CID66173185
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name3-(2,2-dimethylbutanoylamino)-2-hydroxy-2-methylpropanoic acid
SMILESCCC(C)(C)C(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C10H19NO4/c1-5-9(2,3)7(12)11-6-10(4,15)8(13)14/h15H,5-6H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyWEYMQAZPOQSQJC-UHFFFAOYSA-N
XLogP0.37
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66176397
N-(2,2-dimethylpropyl)-2,2-dimethylbutanamide
CID 54381373
2-hydroxy-3-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpropanoic acid
CID 103018889
N-(5-amino-2,2-dimethylpentyl)-2,2-dimethylbutanamide
CID 106140383
2-hydroxy-2-methyl-3-(prop-2-ynoylamino)propanoic acid
CID 66173410
2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 66174172
N-(aminomethyl)-2,2-dimethylbutanamide
CID 20688200
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,2-dimethylbutanamide
CID 103712407
2-hydroxy-2-methyl-3-[[methyl(propyl)carbamoyl]amino]propanoic acid
CID 66175927
3-(butan-2-ylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173440
2,2-dimethyl-N-(3-methylbutan-2-yl)butanamide
CID 123229484
2-hydroxy-2-methyl-3-(3-methylbutanoylamino)propanoic acid
CID 66172744

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylbutanoylamino)-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-(2,2-dimethylbutanoylamino)-2-hydroxy-2-methylpropanoic acid (CID 66173185) is 3-(2,2-dimethylbutanoylamino)-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-(2,2-dimethylbutanoylamino)-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-(2,2-dimethylbutanoylamino)-2-hydroxy-2-methylpropanoic acid is CCC(C)(C)C(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 3-(2,2-dimethylbutanoylamino)-2-hydroxy-2-methylpropanoic acid?
The InChIKey is WEYMQAZPOQSQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-5-9(2,3)7(12)11-6-10(4,15)8(13)14/h15H,5-6H2,1-4H3,(H,11,12)(H,13,14).
What are the key properties of 3-(2,2-dimethylbutanoylamino)-2-hydroxy-2-methylpropanoic acid?
3-(2,2-dimethylbutanoylamino)-2-hydroxy-2-methylpropanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylbutanoylamino)-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66173185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).