4-[[(3-methoxyphenyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid

C14H18N2O5 — CID 66240767

IUPAC4-[[(3-methoxyphenyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid
SMILESCOc1cccc(N(C)C(=O)NC2COCC2C(=O)O)c1
InChIInChI=1S/C14H18N2O5/c1-16(9-4-3-5-10(6-9)20-2)14(19)15-12-8-21-7-11(12)13(17)18/h3-6,11-12H,7-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyFEQZEWHROUFJFU-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.94
Rot. Bonds4

About 4-[[(3-methoxyphenyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid

4-[[(3-methoxyphenyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 66240767) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-[[(3-methoxyphenyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[(3-methoxyphenyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID66240767
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name4-[[(3-methoxyphenyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid
SMILESCOc1cccc(N(C)C(=O)NC2COCC2C(=O)O)c1
InChIInChI=1S/C14H18N2O5/c1-16(9-4-3-5-10(6-9)20-2)14(19)15-12-8-21-7-11(12)13(17)18/h3-6,11-12H,7-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyFEQZEWHROUFJFU-UHFFFAOYSA-N
XLogP0.94
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(3-methoxyphenyl)-methylcarbamoyl]amino]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-[[ethyl(phenyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66240338
(1S,6R)-6-[(3-methoxyphenyl)-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962351
4-[[3-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid
CID 66220726
3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid
CID 22132899
2-hydroxy-3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid
CID 66165933
2-[[2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid
CID 62002684
(3S,4S)-N-(3-methoxyphenyl)-N,4-dimethylpyrrolidine-3-carboxamide
CID 114084877
3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 55105416
(2R)-3-hydroxy-2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid
CID 80757234
N-[(3-methoxyphenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66265607
1-[(3-methoxyphenyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 62001735
N-(3-methoxyphenyl)-N-methylmorpholine-4-carboxamide
CID 116655319

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methoxyphenyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[(3-methoxyphenyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid (CID 66240767) is 4-[[(3-methoxyphenyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[(3-methoxyphenyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[(3-methoxyphenyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid is COc1cccc(N(C)C(=O)NC2COCC2C(=O)O)c1.
What is the InChIKey of 4-[[(3-methoxyphenyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is FEQZEWHROUFJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-16(9-4-3-5-10(6-9)20-2)14(19)15-12-8-21-7-11(12)13(17)18/h3-6,11-12H,7-8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 4-[[(3-methoxyphenyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid?
4-[[(3-methoxyphenyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methoxyphenyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66240767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).