1-(2,3-dimethylbutanoyl)-3-hydroxyazetidine-3-carboxylic acid

C10H17NO4 — CID 154842925

IUPAC1-(2,3-dimethylbutanoyl)-3-hydroxyazetidine-3-carboxylic acid
SMILESCC(C)C(C)C(=O)N1CC(O)(C(=O)O)C1
InChIInChI=1S/C10H17NO4/c1-6(2)7(3)8(12)11-4-10(15,5-11)9(13)14/h6-7,15H,4-5H2,1-3H3,(H,13,14)
InChIKeyCGZBRVNFTDARPO-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.06
Rot. Bonds3

About 1-(2,3-dimethylbutanoyl)-3-hydroxyazetidine-3-carboxylic acid

1-(2,3-dimethylbutanoyl)-3-hydroxyazetidine-3-carboxylic acid (PubChem CID 154842925) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(2,3-dimethylbutanoyl)-3-hydroxyazetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dimethylbutanoyl)-3-hydroxyazetidine-3-carboxylic acid
PubChem CID154842925
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name1-(2,3-dimethylbutanoyl)-3-hydroxyazetidine-3-carboxylic acid
SMILESCC(C)C(C)C(=O)N1CC(O)(C(=O)O)C1
InChIInChI=1S/C10H17NO4/c1-6(2)7(3)8(12)11-4-10(15,5-11)9(13)14/h6-7,15H,4-5H2,1-3H3,(H,13,14)
InChIKeyCGZBRVNFTDARPO-UHFFFAOYSA-N
XLogP-0.06
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aziridin-1-yl)-2,3-dimethylbutan-1-one
CID 126991389
1-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dimethylbutan-1-one
CID 165439603
1-(4-hydroxy-4-methylazepan-1-yl)-2,3-dimethylbutan-1-one
CID 107406135
1-acetyl-3-hydroxypyrrolidine-3-carboxylic acid
CID 82411727
2,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 176724089
1-[(3S)-3-hydroxypiperidin-1-yl]-2,3-dimethylbutan-1-one
CID 107224947
1-propan-2-yl-3-(1-sulfanylethyl)azetidine-3-carboxylic acid
CID 155474869
(2S)-2-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-3-methylbutan-1-one
CID 107220163
1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2,3-dimethylbutan-1-one
CID 131052536
4-hydroxy-1-(2-methyl-3-methylsulfanylpropanoyl)piperidine-4-carboxylic acid
CID 119251353
3-methyl-1-(2-methylpropanoyl)azetidine-3-carbaldehyde
CID 20592369
(2S)-2-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one
CID 107220086

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbutanoyl)-3-hydroxyazetidine-3-carboxylic acid?
The IUPAC name of 1-(2,3-dimethylbutanoyl)-3-hydroxyazetidine-3-carboxylic acid (CID 154842925) is 1-(2,3-dimethylbutanoyl)-3-hydroxyazetidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,3-dimethylbutanoyl)-3-hydroxyazetidine-3-carboxylic acid?
The canonical SMILES for 1-(2,3-dimethylbutanoyl)-3-hydroxyazetidine-3-carboxylic acid is CC(C)C(C)C(=O)N1CC(O)(C(=O)O)C1.
What is the InChIKey of 1-(2,3-dimethylbutanoyl)-3-hydroxyazetidine-3-carboxylic acid?
The InChIKey is CGZBRVNFTDARPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-6(2)7(3)8(12)11-4-10(15,5-11)9(13)14/h6-7,15H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 1-(2,3-dimethylbutanoyl)-3-hydroxyazetidine-3-carboxylic acid?
1-(2,3-dimethylbutanoyl)-3-hydroxyazetidine-3-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbutanoyl)-3-hydroxyazetidine-3-carboxylic acid is sourced from PubChem (CID 154842925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).