5-[(4-hydroxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid

C14H17NO5 — CID 102688209

IUPAC5-[(4-hydroxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid
SMILESCN(Cc1ccc(O)cc1)C(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C14H17NO5/c1-15(8-9-2-4-10(16)5-3-9)13(17)11-6-7-12(20-11)14(18)19/h2-5,11-12,16H,6-8H2,1H3,(H,18,19)
InChIKeyUNHLVAJFWWZNAF-UHFFFAOYSA-N
MW279.29 g/mol
LogP0.98
Rot. Bonds4

About 5-[(4-hydroxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid

5-[(4-hydroxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid (PubChem CID 102688209) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 5-[(4-hydroxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-hydroxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid
PubChem CID102688209
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name5-[(4-hydroxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid
SMILESCN(Cc1ccc(O)cc1)C(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C14H17NO5/c1-15(8-9-2-4-10(16)5-3-9)13(17)11-6-7-12(20-11)14(18)19/h2-5,11-12,16H,6-8H2,1H3,(H,18,19)
InChIKeyUNHLVAJFWWZNAF-UHFFFAOYSA-N
XLogP0.98
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3,4-difluorophenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688105
5-[(3,5-dichlorophenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688168
(2R,5S)-5-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944233
3-[(4-hydroxyphenyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 154832958
(2R,5S)-5-[(2-methoxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102944496
(2R,5S)-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944535
2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 82237531
5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688383
(2S,5R)-5-(aminomethyl)-N-methyl-N-[(4-methylsulfonylphenyl)methyl]oxolane-2-carboxamide
CID 120794534
(2R,5S)-5-[methyl(2-methylprop-2-enyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945722
(2R,5S)-5-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102945282
5-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid
CID 62299610

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(4-hydroxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid (CID 102688209) is 5-[(4-hydroxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(4-hydroxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(4-hydroxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid is CN(Cc1ccc(O)cc1)C(=O)C1CCC(C(=O)O)O1.
What is the InChIKey of 5-[(4-hydroxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid?
The InChIKey is UNHLVAJFWWZNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-15(8-9-2-4-10(16)5-3-9)13(17)11-6-7-12(20-11)14(18)19/h2-5,11-12,16H,6-8H2,1H3,(H,18,19).
What are the key properties of 5-[(4-hydroxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid?
5-[(4-hydroxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102688209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).