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

C11H18N2O5 — CID 66235946

IUPAC4-[3-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCC(=O)NCCC(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C11H18N2O5/c1-7(14)12-4-3-10(15)13(2)9-6-18-5-8(9)11(16)17/h8-9H,3-6H2,1-2H3,(H,12,14)(H,16,17)
InChIKeyIALVCRPLFHSPHN-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.93
Rot. Bonds5

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

4-[3-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid (PubChem CID 66235946) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-[3-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid
PubChem CID66235946
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name4-[3-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCC(=O)NCCC(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C11H18N2O5/c1-7(14)12-4-3-10(15)13(2)9-6-18-5-8(9)11(16)17/h8-9H,3-6H2,1-2H3,(H,12,14)(H,16,17)
InChIKeyIALVCRPLFHSPHN-UHFFFAOYSA-N
XLogP-0.93
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

Analyze 4-[3-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(ethylamino)propanoyl-methylamino]oxolane-3-carboxylic acid
CID 66235417
4-[hexanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236749
4-[methyl-[2-(propan-2-ylamino)acetyl]amino]oxolane-3-carboxylic acid
CID 66237430
4-[(2-acetamidoacetyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245449
4-[2-(carbamoylamino)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 83113561
4-[methyl(3-phenoxypropanoyl)amino]oxolane-3-carboxylic acid
CID 66238376
4-[2,2-dimethylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266712
4-[2-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66238166
4-[methyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]oxolane-3-carboxylic acid
CID 79260757
4-[3-(furan-2-yl)propanoyl-methylamino]oxolane-3-carboxylic acid
CID 66238169
4-[methyl-[3-(2-methylphenyl)propanoyl]amino]oxolane-3-carboxylic acid
CID 66235536
4-[3-(4-aminophenyl)propanoyl-methylamino]oxolane-3-carboxylic acid
CID 115341532

Frequently Asked Questions

What is the IUPAC name of 4-[3-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[3-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid (CID 66235946) is 4-[3-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[3-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[3-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid is CC(=O)NCCC(=O)N(C)C1COCC1C(=O)O.
What is the InChIKey of 4-[3-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid?
The InChIKey is IALVCRPLFHSPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-7(14)12-4-3-10(15)13(2)9-6-18-5-8(9)11(16)17/h8-9H,3-6H2,1-2H3,(H,12,14)(H,16,17).
What are the key properties of 4-[3-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid?
4-[3-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of -0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66235946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).