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

C13H16N2O6 — CID 66223325

IUPAC4-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]oxolane-3-carboxylic acid
SMILESCN(CC(=O)NC1COCC1C(=O)O)C(=O)c1ccco1
InChIInChI=1S/C13H16N2O6/c1-15(12(17)10-3-2-4-21-10)5-11(16)14-9-7-20-6-8(9)13(18)19/h2-4,8-9H,5-7H2,1H3,(H,14,16)(H,18,19)
InChIKeyJZZUMSVUDXWVQD-UHFFFAOYSA-N
MW296.28 g/mol
LogP-0.43
Rot. Bonds5

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

4-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]oxolane-3-carboxylic acid (PubChem CID 66223325) has the molecular formula C13H16N2O6 and a molecular weight of 296.28 g/mol. Its IUPAC name is 4-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]oxolane-3-carboxylic acid
PubChem CID66223325
Molecular FormulaC13H16N2O6
Molecular Weight296.28 g/mol
Exact Mass296.10
IUPAC Name4-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]oxolane-3-carboxylic acid
SMILESCN(CC(=O)NC1COCC1C(=O)O)C(=O)c1ccco1
InChIInChI=1S/C13H16N2O6/c1-15(12(17)10-3-2-4-21-10)5-11(16)14-9-7-20-6-8(9)13(18)19/h2-4,8-9H,5-7H2,1H3,(H,14,16)(H,18,19)
InChIKeyJZZUMSVUDXWVQD-UHFFFAOYSA-N
XLogP-0.43
TPSA109.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]oxolane-3-carboxylic acid with MolForge

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Related Compounds

N-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 104957500
4-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]oxolane-3-carboxylic acid
CID 66221609
4-[furan-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66237142
3-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid
CID 43170664
4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66241556
4-[[2-(3-hydroxyphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 66221632
N-[2-(ethoxyamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 47149757
methyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 43407344
2-[furan-2-carbonyl(methyl)amino]acetate
CID 6943452
4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66239350
N-[2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 107302243
N-methyl-N-(2-methylprop-2-enyl)furan-2-carboxamide
CID 115968439

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]oxolane-3-carboxylic acid (CID 66223325) is 4-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]oxolane-3-carboxylic acid is CN(CC(=O)NC1COCC1C(=O)O)C(=O)c1ccco1.
What is the InChIKey of 4-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]oxolane-3-carboxylic acid?
The InChIKey is JZZUMSVUDXWVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O6/c1-15(12(17)10-3-2-4-21-10)5-11(16)14-9-7-20-6-8(9)13(18)19/h2-4,8-9H,5-7H2,1H3,(H,14,16)(H,18,19).
What are the key properties of 4-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]oxolane-3-carboxylic acid?
4-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]oxolane-3-carboxylic acid has a molecular weight of 296.28 g/mol, XLogP of -0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66223325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).