5-[(3-hydroxyphenyl)-methylcarbamoyl]oxolane-2-carboxylic acid

C13H15NO5 — CID 107734002

IUPAC5-[(3-hydroxyphenyl)-methylcarbamoyl]oxolane-2-carboxylic acid
SMILESCN(C(=O)C1CCC(C(=O)O)O1)c1cccc(O)c1
InChIInChI=1S/C13H15NO5/c1-14(8-3-2-4-9(15)7-8)12(16)10-5-6-11(19-10)13(17)18/h2-4,7,10-11,15H,5-6H2,1H3,(H,17,18)
InChIKeyKOIQJJVXHNYVTI-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.99
Rot. Bonds3

About 5-[(3-hydroxyphenyl)-methylcarbamoyl]oxolane-2-carboxylic acid

5-[(3-hydroxyphenyl)-methylcarbamoyl]oxolane-2-carboxylic acid (PubChem CID 107734002) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 5-[(3-hydroxyphenyl)-methylcarbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-hydroxyphenyl)-methylcarbamoyl]oxolane-2-carboxylic acid
PubChem CID107734002
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name5-[(3-hydroxyphenyl)-methylcarbamoyl]oxolane-2-carboxylic acid
SMILESCN(C(=O)C1CCC(C(=O)O)O1)c1cccc(O)c1
InChIInChI=1S/C13H15NO5/c1-14(8-3-2-4-9(15)7-8)12(16)10-5-6-11(19-10)13(17)18/h2-4,7,10-11,15H,5-6H2,1H3,(H,17,18)
InChIKeyKOIQJJVXHNYVTI-UHFFFAOYSA-N
XLogP0.99
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[ethyl-(3-hydroxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 107734029
4-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 107737513
(1S,6R)-6-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 107734001
(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
4-amino-N-(3-hydroxyphenyl)-N-methyloxolane-3-carboxamide
CID 107734641
(E)-N-(3-hydroxyphenyl)-N-methyl-3-phenylprop-2-enamide
CID 107735974
1-[(3-hydroxyphenyl)-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 107737165
1-[(3-hydroxyphenyl)-methylcarbamoyl]piperidine-2-carboxylic acid
CID 107737239
3-cyclopentyl-1-(3-hydroxyphenyl)-1-methylurea
CID 107734155
(2R,5S)-5-[butyl(phenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945334
2-amino-N-(3-hydroxyphenyl)-N,2-dimethylpropanamide
CID 107734712
N-(3-hydroxyphenyl)-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 107735819

Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxyphenyl)-methylcarbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(3-hydroxyphenyl)-methylcarbamoyl]oxolane-2-carboxylic acid (CID 107734002) is 5-[(3-hydroxyphenyl)-methylcarbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(3-hydroxyphenyl)-methylcarbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(3-hydroxyphenyl)-methylcarbamoyl]oxolane-2-carboxylic acid is CN(C(=O)C1CCC(C(=O)O)O1)c1cccc(O)c1.
What is the InChIKey of 5-[(3-hydroxyphenyl)-methylcarbamoyl]oxolane-2-carboxylic acid?
The InChIKey is KOIQJJVXHNYVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-14(8-3-2-4-9(15)7-8)12(16)10-5-6-11(19-10)13(17)18/h2-4,7,10-11,15H,5-6H2,1H3,(H,17,18).
What are the key properties of 5-[(3-hydroxyphenyl)-methylcarbamoyl]oxolane-2-carboxylic acid?
5-[(3-hydroxyphenyl)-methylcarbamoyl]oxolane-2-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-hydroxyphenyl)-methylcarbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 107734002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).