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

C11H17NO4 — CID 66236548

IUPAC4-[methyl-(2-methylcyclopropanecarbonyl)amino]oxolane-3-carboxylic acid
SMILESCC1CC1C(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C11H17NO4/c1-6-3-7(6)10(13)12(2)9-5-16-4-8(9)11(14)15/h6-9H,3-5H2,1-2H3,(H,14,15)
InChIKeyXEEYAGSFEJLEBP-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.20
Rot. Bonds3

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

4-[methyl-(2-methylcyclopropanecarbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 66236548) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-[methyl-(2-methylcyclopropanecarbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-(2-methylcyclopropanecarbonyl)amino]oxolane-3-carboxylic acid
PubChem CID66236548
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name4-[methyl-(2-methylcyclopropanecarbonyl)amino]oxolane-3-carboxylic acid
SMILESCC1CC1C(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C11H17NO4/c1-6-3-7(6)10(13)12(2)9-5-16-4-8(9)11(14)15/h6-9H,3-5H2,1-2H3,(H,14,15)
InChIKeyXEEYAGSFEJLEBP-UHFFFAOYSA-N
XLogP0.20
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl-(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
CID 107175661
4-[cyclooctanecarbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236752
4-[7-azabicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236007
4-[methyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66266721
4-[cyclohex-3-ene-1-carbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66235925
4-[(3,5-dimethylcyclohexyl)carbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66265351
4-[[2-(dimethylamino)ethyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66267321
4-[2-cyclopropylpropanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 83146395
4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266130
4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66265694
4-[(2-amino-2-ethylbutanoyl)-methylamino]oxolane-3-carboxylic acid
CID 79814802
4-[hexanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236749

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(2-methylcyclopropanecarbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl-(2-methylcyclopropanecarbonyl)amino]oxolane-3-carboxylic acid (CID 66236548) is 4-[methyl-(2-methylcyclopropanecarbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl-(2-methylcyclopropanecarbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl-(2-methylcyclopropanecarbonyl)amino]oxolane-3-carboxylic acid is CC1CC1C(=O)N(C)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl-(2-methylcyclopropanecarbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is XEEYAGSFEJLEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-6-3-7(6)10(13)12(2)9-5-16-4-8(9)11(14)15/h6-9H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 4-[methyl-(2-methylcyclopropanecarbonyl)amino]oxolane-3-carboxylic acid?
4-[methyl-(2-methylcyclopropanecarbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(2-methylcyclopropanecarbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66236548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).