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

C11H13NO5 — CID 66237142

IUPAC4-[furan-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)c1ccco1)C1COCC1C(=O)O
InChIInChI=1S/C11H13NO5/c1-12(10(13)9-3-2-4-17-9)8-6-16-5-7(8)11(14)15/h2-4,7-8H,5-6H2,1H3,(H,14,15)
InChIKeyZRRSAZZGNFEYLH-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.45
Rot. Bonds3

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

4-[furan-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid (PubChem CID 66237142) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-[furan-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[furan-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid
PubChem CID66237142
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name4-[furan-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)c1ccco1)C1COCC1C(=O)O
InChIInChI=1S/C11H13NO5/c1-12(10(13)9-3-2-4-17-9)8-6-16-5-7(8)11(14)15/h2-4,7-8H,5-6H2,1H3,(H,14,15)
InChIKeyZRRSAZZGNFEYLH-UHFFFAOYSA-N
XLogP0.45
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[furan-2-carbonyl(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

N-methyl-N-(2-methylcyclohexyl)furan-2-carboxamide
CID 42951861
4-[(2-iodobenzoyl)-methylamino]oxolane-3-carboxylic acid
CID 66235348
4-[(2-bromofuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 106851090
4-[3-(furan-2-yl)propanoyl-methylamino]oxolane-3-carboxylic acid
CID 66238169
4-[[4-(dimethylamino)benzoyl]-methylamino]oxolane-3-carboxylic acid
CID 66235943
4-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]oxolane-3-carboxylic acid
CID 66223325
4-[methyl-(4-methylsulfanylbenzoyl)amino]oxolane-3-carboxylic acid
CID 66236756
4-[methyl(3-phenylpropyl)amino]oxolane-3-carboxylic acid
CID 66235785
4-[(3-fluorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66266895
4-[(1-ethylpyrrole-2-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66236357
4-[methyl(pyridin-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267870
4-[(3-chlorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66266331

Frequently Asked Questions

What is the IUPAC name of 4-[furan-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[furan-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid (CID 66237142) is 4-[furan-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[furan-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[furan-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid is CN(C(=O)c1ccco1)C1COCC1C(=O)O.
What is the InChIKey of 4-[furan-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid?
The InChIKey is ZRRSAZZGNFEYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-12(10(13)9-3-2-4-17-9)8-6-16-5-7(8)11(14)15/h2-4,7-8H,5-6H2,1H3,(H,14,15).
What are the key properties of 4-[furan-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid?
4-[furan-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[furan-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66237142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).