3-[1-(4-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid

C15H20N2O4 — CID 64892861

IUPAC3-[1-(4-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCc1ccc(C(C)NC(=O)NC2(C(=O)O)CCOC2)cc1
InChIInChI=1S/C15H20N2O4/c1-10-3-5-12(6-4-10)11(2)16-14(20)17-15(13(18)19)7-8-21-9-15/h3-6,11H,7-9H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyKRICSSLDLPTSKO-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.60
Rot. Bonds4

About 3-[1-(4-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid

3-[1-(4-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid (PubChem CID 64892861) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-[1-(4-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[1-(4-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid
PubChem CID64892861
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-[1-(4-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCc1ccc(C(C)NC(=O)NC2(C(=O)O)CCOC2)cc1
InChIInChI=1S/C15H20N2O4/c1-10-3-5-12(6-4-10)11(2)16-14(20)17-15(13(18)19)7-8-21-9-15/h3-6,11H,7-9H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyKRICSSLDLPTSKO-UHFFFAOYSA-N
XLogP1.60
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 64893085
4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]oxane-4-carboxylic acid
CID 115292996
3-[[2-(4-methylanilino)-2-oxoacetyl]amino]oxolane-3-carboxylic acid
CID 64888452
3-[[2-(4-methylphenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid
CID 64890387
3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 64894101
1-(1-phenylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61186922
3-[[ethyl-(4-methylphenyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64893700
4-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]oxane-4-carboxylic acid
CID 97269346
3-(1-cyclohexylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 64892875
3-[3-(4-aminophenyl)butanoylamino]oxolane-3-carboxylic acid
CID 104502718
3-[(4-bromo-3-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 64889078
3-[[(E)-4-(4-propan-2-ylphenyl)but-3-enoyl]amino]oxolane-3-carboxylic acid
CID 120532802

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[1-(4-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid (CID 64892861) is 3-[1-(4-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[1-(4-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[1-(4-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid is Cc1ccc(C(C)NC(=O)NC2(C(=O)O)CCOC2)cc1.
What is the InChIKey of 3-[1-(4-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is KRICSSLDLPTSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-3-5-12(6-4-10)11(2)16-14(20)17-15(13(18)19)7-8-21-9-15/h3-6,11H,7-9H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-[1-(4-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
3-[1-(4-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64892861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).