4-[1-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid

C15H20N2O4 — CID 66238959

IUPAC4-[1-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCc1ccccc1C(C)NC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-9-5-3-4-6-11(9)10(2)16-15(20)17-13-8-21-7-12(13)14(18)19/h3-6,10,12-13H,7-8H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyOXSWVNDTMKDDEZ-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.45
Rot. Bonds4

About 4-[1-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid

4-[1-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid (PubChem CID 66238959) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-[1-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[1-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid
PubChem CID66238959
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-[1-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCc1ccccc1C(C)NC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-9-5-3-4-6-11(9)10(2)16-15(20)17-13-8-21-7-12(13)14(18)19/h3-6,10,12-13H,7-8H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyOXSWVNDTMKDDEZ-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 66238560
1-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yl)urea
CID 113322035
4-(ethylamino)-N-[(1S)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide
CID 81379978
N-[(1R)-1-(2-methylphenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 81363941
4-[2-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 79757146
4-[[(1S)-1-phenylethyl]amino]oxolane-3-carboxylic acid
CID 175965674
4-(1-cyclopropylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66241338
4-[3-(2-methylphenyl)prop-2-enoylamino]oxolane-3-carboxylic acid
CID 77115033
4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]oxolane-3-carboxylic acid
CID 66239563
4-[(3,4-dimethylphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66240339
1-[(1R)-1-(2-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 33425430
(2R,5S)-5-[1-(2-methylphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102944480

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[1-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid (CID 66238959) is 4-[1-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[1-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[1-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid is Cc1ccccc1C(C)NC(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[1-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is OXSWVNDTMKDDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9-5-3-4-6-11(9)10(2)16-15(20)17-13-8-21-7-12(13)14(18)19/h3-6,10,12-13H,7-8H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-[1-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
4-[1-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66238959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).