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

C13H24N2O4 — CID 66267696

IUPAC4-[methyl(3-methylpentan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
SMILESCCC(C)C(C)NC(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C13H24N2O4/c1-5-8(2)9(3)14-13(18)15(4)11-7-19-6-10(11)12(16)17/h8-11H,5-7H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyBOISZOLRCCYABM-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.16
Rot. Bonds5

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

4-[methyl(3-methylpentan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid (PubChem CID 66267696) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-[methyl(3-methylpentan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(3-methylpentan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
PubChem CID66267696
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name4-[methyl(3-methylpentan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
SMILESCCC(C)C(C)NC(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C13H24N2O4/c1-5-8(2)9(3)14-13(18)15(4)11-7-19-6-10(11)12(16)17/h8-11H,5-7H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyBOISZOLRCCYABM-UHFFFAOYSA-N
XLogP1.16
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(3-methylbutan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267863
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-[[ethyl(1-methoxypropan-2-yl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66267313
4-[[butan-2-yl(butyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66266526
4-[2-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66238166
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-(ethylamino)-2-methylpropanoyl]-methylamino]oxolane-3-carboxylic acid
CID 66236427
4-[methyl-[(4-methylcyclohexyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66265543
4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66265939

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(3-methylpentan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl(3-methylpentan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid (CID 66267696) is 4-[methyl(3-methylpentan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl(3-methylpentan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl(3-methylpentan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid is CCC(C)C(C)NC(=O)N(C)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl(3-methylpentan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is BOISZOLRCCYABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-5-8(2)9(3)14-13(18)15(4)11-7-19-6-10(11)12(16)17/h8-11H,5-7H2,1-4H3,(H,14,18)(H,16,17).
What are the key properties of 4-[methyl(3-methylpentan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid?
4-[methyl(3-methylpentan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(3-methylpentan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66267696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).