4-[methyl(3-methylbutan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid

C12H22N2O4 — CID 66267863

IUPAC4-[methyl(3-methylbutan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
SMILESCC(C)C(C)NC(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C12H22N2O4/c1-7(2)8(3)13-12(17)14(4)10-6-18-5-9(10)11(15)16/h7-10H,5-6H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyJDZZQTQSFJHUJI-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.77
Rot. Bonds4

About 4-[methyl(3-methylbutan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid

4-[methyl(3-methylbutan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid (PubChem CID 66267863) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[methyl(3-methylbutan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(3-methylbutan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
PubChem CID66267863
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name4-[methyl(3-methylbutan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
SMILESCC(C)C(C)NC(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C12H22N2O4/c1-7(2)8(3)13-12(17)14(4)10-6-18-5-9(10)11(15)16/h7-10H,5-6H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyJDZZQTQSFJHUJI-UHFFFAOYSA-N
XLogP0.77
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(3-methylpentan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267696
4-[1-(diethylamino)propan-2-ylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66267510
4-[methyl(pent-4-yn-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 113478027
4-[methyl(1-pyrrolidin-1-ylpropan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66265729
4-[2-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66238166
4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66265694
4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266130
4-[methyl(3-methylbutan-2-yl)amino]oxolane-3-carboxylic acid
CID 66267091
4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66265939
4-[methyl-[2-(propan-2-ylamino)acetyl]amino]oxolane-3-carboxylic acid
CID 66237430
4-[2,2-dimethylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266712
4-[(3,5-dimethylcyclohexyl)carbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66265351

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(3-methylbutan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl(3-methylbutan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid (CID 66267863) is 4-[methyl(3-methylbutan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl(3-methylbutan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl(3-methylbutan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid is CC(C)C(C)NC(=O)N(C)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl(3-methylbutan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is JDZZQTQSFJHUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-7(2)8(3)13-12(17)14(4)10-6-18-5-9(10)11(15)16/h7-10H,5-6H2,1-4H3,(H,13,17)(H,15,16).
What are the key properties of 4-[methyl(3-methylbutan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid?
4-[methyl(3-methylbutan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(3-methylbutan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66267863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).