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

C11H18N2O5 — CID 66238166

IUPAC4-[2-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCC(=O)NC(C)C(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C11H18N2O5/c1-6(12-7(2)14)10(15)13(3)9-5-18-4-8(9)11(16)17/h6,8-9H,4-5H2,1-3H3,(H,12,14)(H,16,17)
InChIKeyBTOAKAJAYWPBHA-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.93
Rot. Bonds4

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

4-[2-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid (PubChem CID 66238166) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-[2-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid
PubChem CID66238166
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name4-[2-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCC(=O)NC(C)C(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C11H18N2O5/c1-6(12-7(2)14)10(15)13(3)9-5-18-4-8(9)11(16)17/h6,8-9H,4-5H2,1-3H3,(H,12,14)(H,16,17)
InChIKeyBTOAKAJAYWPBHA-UHFFFAOYSA-N
XLogP-0.93
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-cyclopropylpropanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 83146395
4-[methyl(3-methylbutan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267863
4-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]oxolane-3-carboxylic acid
CID 66236427
4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]oxolane-3-carboxylic acid
CID 66246519
4-[methyl-[2-(propan-2-ylamino)acetyl]amino]oxolane-3-carboxylic acid
CID 66237430
4-[methyl(3-methylpentan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267696
4-[3-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66235946
4-[[(2R)-2-aminopentanoyl]-methylamino]oxolane-3-carboxylic acid
CID 107570009
4-[methyl(pent-4-yn-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 113478027
4-[1-(diethylamino)propan-2-ylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66267510
4-[(3-amino-2-methoxypropanoyl)-methylamino]oxolane-3-carboxylic acid
CID 114145124
4-[methyl(3-methylbutan-2-yl)amino]oxolane-3-carboxylic acid
CID 66267091

Frequently Asked Questions

What is the IUPAC name of 4-[2-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[2-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid (CID 66238166) is 4-[2-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[2-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[2-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid is CC(=O)NC(C)C(=O)N(C)C1COCC1C(=O)O.
What is the InChIKey of 4-[2-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid?
The InChIKey is BTOAKAJAYWPBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-6(12-7(2)14)10(15)13(3)9-5-18-4-8(9)11(16)17/h6,8-9H,4-5H2,1-3H3,(H,12,14)(H,16,17).
What are the key properties of 4-[2-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid?
4-[2-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of -0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66238166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).