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

C14H17NO5 — CID 107734029

IUPAC5-[ethyl-(3-hydroxyphenyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCCN(C(=O)C1CCC(C(=O)O)O1)c1cccc(O)c1
InChIInChI=1S/C14H17NO5/c1-2-15(9-4-3-5-10(16)8-9)13(17)11-6-7-12(20-11)14(18)19/h3-5,8,11-12,16H,2,6-7H2,1H3,(H,18,19)
InChIKeyPEHLLTDYOVIKJM-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.38
Rot. Bonds4

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

5-[ethyl-(3-hydroxyphenyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 107734029) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 5-[ethyl-(3-hydroxyphenyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[ethyl-(3-hydroxyphenyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID107734029
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name5-[ethyl-(3-hydroxyphenyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCCN(C(=O)C1CCC(C(=O)O)O1)c1cccc(O)c1
InChIInChI=1S/C14H17NO5/c1-2-15(9-4-3-5-10(16)8-9)13(17)11-6-7-12(20-11)14(18)19/h3-5,8,11-12,16H,2,6-7H2,1H3,(H,18,19)
InChIKeyPEHLLTDYOVIKJM-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-hydroxyphenyl)-methylcarbamoyl]oxolane-2-carboxylic acid
CID 107734002
ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
(2R,5S)-5-[butyl(phenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945334
(2S,5R)-5-(aminomethyl)-N-ethyl-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782647
N-ethyl-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 114009924
N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210
2-amino-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107734970
methyl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734186
3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782796
N-ethyl-N,2-bis(3-hydroxyphenyl)acetamide
CID 107735678
N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide
CID 107736260
N-ethyl-N-(3-hydroxyphenyl)-3-(oxan-2-yl)propanamide
CID 107736146

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl-(3-hydroxyphenyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[ethyl-(3-hydroxyphenyl)carbamoyl]oxolane-2-carboxylic acid (CID 107734029) is 5-[ethyl-(3-hydroxyphenyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[ethyl-(3-hydroxyphenyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[ethyl-(3-hydroxyphenyl)carbamoyl]oxolane-2-carboxylic acid is CCN(C(=O)C1CCC(C(=O)O)O1)c1cccc(O)c1.
What is the InChIKey of 5-[ethyl-(3-hydroxyphenyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is PEHLLTDYOVIKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-2-15(9-4-3-5-10(16)8-9)13(17)11-6-7-12(20-11)14(18)19/h3-5,8,11-12,16H,2,6-7H2,1H3,(H,18,19).
What are the key properties of 5-[ethyl-(3-hydroxyphenyl)carbamoyl]oxolane-2-carboxylic acid?
5-[ethyl-(3-hydroxyphenyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl-(3-hydroxyphenyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 107734029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).