3-[[2-(4-methylanilino)-2-oxoacetyl]amino]oxolane-3-carboxylic acid

C14H16N2O5 — CID 64888452

IUPAC3-[[2-(4-methylanilino)-2-oxoacetyl]amino]oxolane-3-carboxylic acid
SMILESCc1ccc(NC(=O)C(=O)NC2(C(=O)O)CCOC2)cc1
InChIInChI=1S/C14H16N2O5/c1-9-2-4-10(5-3-9)15-11(17)12(18)16-14(13(19)20)6-7-21-8-14/h2-5H,6-8H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyLYKUACJBMCSXRP-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.29
Rot. Bonds3

About 3-[[2-(4-methylanilino)-2-oxoacetyl]amino]oxolane-3-carboxylic acid

3-[[2-(4-methylanilino)-2-oxoacetyl]amino]oxolane-3-carboxylic acid (PubChem CID 64888452) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 3-[[2-(4-methylanilino)-2-oxoacetyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(4-methylanilino)-2-oxoacetyl]amino]oxolane-3-carboxylic acid
PubChem CID64888452
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name3-[[2-(4-methylanilino)-2-oxoacetyl]amino]oxolane-3-carboxylic acid
SMILESCc1ccc(NC(=O)C(=O)NC2(C(=O)O)CCOC2)cc1
InChIInChI=1S/C14H16N2O5/c1-9-2-4-10(5-3-9)15-11(17)12(18)16-14(13(19)20)6-7-21-8-14/h2-5H,6-8H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyLYKUACJBMCSXRP-UHFFFAOYSA-N
XLogP0.29
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-[[ethyl-(4-methylphenyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64893700
3-[1-(4-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 64892861
3-[[2-(4-methylphenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid
CID 64890387
3-[(4-bromo-3-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 64889078
N'-[1-(hydroxymethyl)cyclopropyl]-N-(4-methylphenyl)oxamide
CID 113344704
4-(4-methylanilino)oxepane-4-carboxylic acid
CID 65079627
3-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]oxolane-3-carboxylic acid
CID 120532707
(3R)-3-(methylamino)oxolane-3-carboxylic acid
CID 95380076
3-[[2-(2,6-dimethylphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 120688786
3-[(4-hydroxy-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 107674961
3-[(4-fluoro-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 64890379
3-[(4-bromo-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 113396648

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methylanilino)-2-oxoacetyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[2-(4-methylanilino)-2-oxoacetyl]amino]oxolane-3-carboxylic acid (CID 64888452) is 3-[[2-(4-methylanilino)-2-oxoacetyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[2-(4-methylanilino)-2-oxoacetyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[2-(4-methylanilino)-2-oxoacetyl]amino]oxolane-3-carboxylic acid is Cc1ccc(NC(=O)C(=O)NC2(C(=O)O)CCOC2)cc1.
What is the InChIKey of 3-[[2-(4-methylanilino)-2-oxoacetyl]amino]oxolane-3-carboxylic acid?
The InChIKey is LYKUACJBMCSXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-9-2-4-10(5-3-9)15-11(17)12(18)16-14(13(19)20)6-7-21-8-14/h2-5H,6-8H2,1H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 3-[[2-(4-methylanilino)-2-oxoacetyl]amino]oxolane-3-carboxylic acid?
3-[[2-(4-methylanilino)-2-oxoacetyl]amino]oxolane-3-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of 0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methylanilino)-2-oxoacetyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64888452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).