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

C15H20N2O4 — CID 79757146

IUPAC4-[2-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCc1ccccc1CCNC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-10-4-2-3-5-11(10)6-7-16-15(20)17-13-9-21-8-12(13)14(18)19/h2-5,12-13H,6-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeySWTNYEITOSMEJM-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.94
Rot. Bonds5

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

4-[2-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid (PubChem CID 79757146) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-[2-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid
PubChem CID79757146
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-[2-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCc1ccccc1CCNC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-10-4-2-3-5-11(10)6-7-16-15(20)17-13-9-21-8-12(13)14(18)19/h2-5,12-13H,6-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeySWTNYEITOSMEJM-UHFFFAOYSA-N
XLogP0.94
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-methylphenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79757554
4-[1-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 66238959
4-[(3-methyl-4-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 114701381
4-(2-methylsulfanylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66241373
4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 106404004
4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 66238975
4-[4-(dimethylamino)butylcarbamoylamino]oxolane-3-carboxylic acid
CID 66240170
4-[(3,4-dimethylphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66240339
4-[[2-(2-aminoethyl)benzoyl]amino]oxolane-3-carboxylic acid
CID 66238525
4-[[2-(2,6-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 66221815
4-[methyl-[3-(2-methylphenyl)propanoyl]amino]oxolane-3-carboxylic acid
CID 66235536
4-[3-(2-methylphenyl)prop-2-enoylamino]oxolane-3-carboxylic acid
CID 77115033

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[2-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid (CID 79757146) is 4-[2-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[2-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[2-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid is Cc1ccccc1CCNC(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[2-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is SWTNYEITOSMEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-4-2-3-5-11(10)6-7-16-15(20)17-13-9-21-8-12(13)14(18)19/h2-5,12-13H,6-9H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-[2-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
4-[2-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 79757146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).