5-[[3-(hydroxymethyl)phenyl]carbamoyl]oxolane-2-carboxylic acid

C13H15NO5 — CID 102687982

IUPAC5-[[3-(hydroxymethyl)phenyl]carbamoyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2cccc(CO)c2)O1
InChIInChI=1S/C13H15NO5/c15-7-8-2-1-3-9(6-8)14-12(16)10-4-5-11(19-10)13(17)18/h1-3,6,10-11,15H,4-5,7H2,(H,14,16)(H,17,18)
InChIKeyABRIPWSCNZFJEC-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.75
Rot. Bonds4

About 5-[[3-(hydroxymethyl)phenyl]carbamoyl]oxolane-2-carboxylic acid

5-[[3-(hydroxymethyl)phenyl]carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102687982) has the molecular formula C13H15NO5 and a molecular weight of 265.27 g/mol. Its IUPAC name is 5-[[3-(hydroxymethyl)phenyl]carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(hydroxymethyl)phenyl]carbamoyl]oxolane-2-carboxylic acid
PubChem CID102687982
Molecular FormulaC13H15NO5
Molecular Weight265.27 g/mol
Exact Mass265.10
IUPAC Name5-[[3-(hydroxymethyl)phenyl]carbamoyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2cccc(CO)c2)O1
InChIInChI=1S/C13H15NO5/c15-7-8-2-1-3-9(6-8)14-12(16)10-4-5-11(19-10)13(17)18/h1-3,6,10-11,15H,4-5,7H2,(H,14,16)(H,17,18)
InChIKeyABRIPWSCNZFJEC-UHFFFAOYSA-N
XLogP0.75
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[[3-(hydroxymethyl)phenyl]carbamoyl]oxolane-2-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

(2R,5S)-5-[(3-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944592
5-[[3-(cyanomethoxy)phenyl]carbamoyl]oxolane-2-carboxylic acid
CID 102687992
(2R,5S)-5-(pyridin-4-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944564
3-[3-[[5-(aminomethyl)oxolane-2-carbonyl]amino]phenyl]propanoic acid
CID 115339928
N-[3-(hydroxymethyl)phenyl]-2-methyloxolane-3-carboxamide
CID 79759466
N-[3-(hydroxymethyl)phenyl]azepane-2-carboxamide
CID 64561657
(2R,5S)-5-[(3,5-dimethylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944368
N-[3-(hydroxymethyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 113415137
(2S,5R)-5-(aminomethyl)-N-[3-(benzylsulfonylmethyl)phenyl]oxolane-2-carboxamide
CID 120794006
5-[(3-carbamoylphenyl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102687923
(2R,5S)-5-[(3-bromo-4-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945371
(2R,5S)-5-[(3,5-dichloro-4-hydroxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 107677682

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(hydroxymethyl)phenyl]carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[3-(hydroxymethyl)phenyl]carbamoyl]oxolane-2-carboxylic acid (CID 102687982) is 5-[[3-(hydroxymethyl)phenyl]carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(hydroxymethyl)phenyl]carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[3-(hydroxymethyl)phenyl]carbamoyl]oxolane-2-carboxylic acid is O=C(O)C1CCC(C(=O)Nc2cccc(CO)c2)O1.
What is the InChIKey of 5-[[3-(hydroxymethyl)phenyl]carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is ABRIPWSCNZFJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c15-7-8-2-1-3-9(6-8)14-12(16)10-4-5-11(19-10)13(17)18/h1-3,6,10-11,15H,4-5,7H2,(H,14,16)(H,17,18).
What are the key properties of 5-[[3-(hydroxymethyl)phenyl]carbamoyl]oxolane-2-carboxylic acid?
5-[[3-(hydroxymethyl)phenyl]carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(hydroxymethyl)phenyl]carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102687982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).