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

C12H19NO4 — CID 83146395

IUPAC4-[2-cyclopropylpropanoyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCC(C(=O)N(C)C1COCC1C(=O)O)C1CC1
InChIInChI=1S/C12H19NO4/c1-7(8-3-4-8)11(14)13(2)10-6-17-5-9(10)12(15)16/h7-10H,3-6H2,1-2H3,(H,15,16)
InChIKeyWIXOTWGSMVSTHI-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.59
Rot. Bonds4

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

4-[2-cyclopropylpropanoyl(methyl)amino]oxolane-3-carboxylic acid (PubChem CID 83146395) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-[2-cyclopropylpropanoyl(methyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-cyclopropylpropanoyl(methyl)amino]oxolane-3-carboxylic acid
PubChem CID83146395
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name4-[2-cyclopropylpropanoyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCC(C(=O)N(C)C1COCC1C(=O)O)C1CC1
InChIInChI=1S/C12H19NO4/c1-7(8-3-4-8)11(14)13(2)10-6-17-5-9(10)12(15)16/h7-10H,3-6H2,1-2H3,(H,15,16)
InChIKeyWIXOTWGSMVSTHI-UHFFFAOYSA-N
XLogP0.59
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66238166
4-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]oxolane-3-carboxylic acid
CID 66236427
4-[(3-amino-2-methoxypropanoyl)-methylamino]oxolane-3-carboxylic acid
CID 114145124
4-[[(2R)-2-aminopentanoyl]-methylamino]oxolane-3-carboxylic acid
CID 107570009
4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]oxolane-3-carboxylic acid
CID 104967966
4-[methyl(3-methylbutan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267863
4-[methyl-(2-methylcyclopropanecarbonyl)amino]oxolane-3-carboxylic acid
CID 66236548
4-[methyl(3-methylbutan-2-yl)amino]oxolane-3-carboxylic acid
CID 66267091
4-[di(cyclobutyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 112743509
4-[cyclooctanecarbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236752
4-[methyl-[2-(propan-2-ylamino)acetyl]amino]oxolane-3-carboxylic acid
CID 66237430
4-[methyl-(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
CID 107175661

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopropylpropanoyl(methyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[2-cyclopropylpropanoyl(methyl)amino]oxolane-3-carboxylic acid (CID 83146395) is 4-[2-cyclopropylpropanoyl(methyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[2-cyclopropylpropanoyl(methyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[2-cyclopropylpropanoyl(methyl)amino]oxolane-3-carboxylic acid is CC(C(=O)N(C)C1COCC1C(=O)O)C1CC1.
What is the InChIKey of 4-[2-cyclopropylpropanoyl(methyl)amino]oxolane-3-carboxylic acid?
The InChIKey is WIXOTWGSMVSTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-7(8-3-4-8)11(14)13(2)10-6-17-5-9(10)12(15)16/h7-10H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 4-[2-cyclopropylpropanoyl(methyl)amino]oxolane-3-carboxylic acid?
4-[2-cyclopropylpropanoyl(methyl)amino]oxolane-3-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopropylpropanoyl(methyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 83146395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).