4-[(5-cyano-2-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid

C14H15N3O4 — CID 66239173

IUPAC4-[(5-cyano-2-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid
SMILESCc1ccc(C#N)cc1NC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C14H15N3O4/c1-8-2-3-9(5-15)4-11(8)16-14(20)17-12-7-21-6-10(12)13(18)19/h2-4,10,12H,6-7H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyDBCPVXWVYPEGJS-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.09
Rot. Bonds3

About 4-[(5-cyano-2-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid

4-[(5-cyano-2-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid (PubChem CID 66239173) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 4-[(5-cyano-2-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-cyano-2-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid
PubChem CID66239173
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name4-[(5-cyano-2-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid
SMILESCc1ccc(C#N)cc1NC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C14H15N3O4/c1-8-2-3-9(5-15)4-11(8)16-14(20)17-12-7-21-6-10(12)13(18)19/h2-4,10,12H,6-7H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyDBCPVXWVYPEGJS-UHFFFAOYSA-N
XLogP1.09
TPSA111.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(5-cyano-2-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3,4-dimethylphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66240339
4-[(2-chloro-4-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66240939
4-[(4-cyano-2-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 106996515
4-[(3-cyanophenyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 66239975
4-[(4-bromo-3-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66240535
4-[(2,5-dibromophenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66239564
4-[(2,3-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66239756
4-[2-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 79757146
4-amino-N-(5-cyano-2-methylphenyl)-3-methyloxolane-3-carboxamide
CID 66264173
1-(5-cyano-2-methylphenyl)-3-[(2S)-3-methylbutan-2-yl]urea
CID 94826096
methyl N-(5-cyano-2-methylphenyl)carbamate
CID 62065723
1-(2-chlorophenyl)-3-(5-cyano-2-methylphenyl)urea
CID 62105247

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyano-2-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(5-cyano-2-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid (CID 66239173) is 4-[(5-cyano-2-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(5-cyano-2-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(5-cyano-2-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid is Cc1ccc(C#N)cc1NC(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[(5-cyano-2-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is DBCPVXWVYPEGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-8-2-3-9(5-15)4-11(8)16-14(20)17-12-7-21-6-10(12)13(18)19/h2-4,10,12H,6-7H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-[(5-cyano-2-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid?
4-[(5-cyano-2-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyano-2-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66239173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).