5-[(2-ethoxy-4-methylphenyl)carbamoyl]oxolane-2-carboxylic acid

C15H19NO5 — CID 102687855

IUPAC5-[(2-ethoxy-4-methylphenyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCCOc1cc(C)ccc1NC(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C15H19NO5/c1-3-20-13-8-9(2)4-5-10(13)16-14(17)11-6-7-12(21-11)15(18)19/h4-5,8,11-12H,3,6-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyBNWAHYGQQMGMHE-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.96
Rot. Bonds5

About 5-[(2-ethoxy-4-methylphenyl)carbamoyl]oxolane-2-carboxylic acid

5-[(2-ethoxy-4-methylphenyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102687855) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-[(2-ethoxy-4-methylphenyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-ethoxy-4-methylphenyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102687855
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name5-[(2-ethoxy-4-methylphenyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCCOc1cc(C)ccc1NC(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C15H19NO5/c1-3-20-13-8-9(2)4-5-10(13)16-14(17)11-6-7-12(21-11)15(18)19/h4-5,8,11-12H,3,6-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyBNWAHYGQQMGMHE-UHFFFAOYSA-N
XLogP1.96
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-ethoxy-4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978084
(2S,5R)-5-(aminomethyl)-N-(4-methyl-2-propoxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120787723
4-[(2-ethoxy-4-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076839
5-[(4-ethoxy-3-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688900
(2R,5S)-5-[(4-fluoro-2-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945091
(2R)-N-(2-ethoxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 93360332
(2R,5S)-5-[(2-ethoxy-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944715
(2R,5S)-5-[(4-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944299
(2R,5S)-5-[(4-bromo-2-ethylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945483
(2R,5S)-5-[(3-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944592
N-(2-ethoxy-4-methylphenyl)-4-methylpiperidine-2-carboxamide
CID 114423253
5-[(4-fluoro-2-methylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687633

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethoxy-4-methylphenyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(2-ethoxy-4-methylphenyl)carbamoyl]oxolane-2-carboxylic acid (CID 102687855) is 5-[(2-ethoxy-4-methylphenyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(2-ethoxy-4-methylphenyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(2-ethoxy-4-methylphenyl)carbamoyl]oxolane-2-carboxylic acid is CCOc1cc(C)ccc1NC(=O)C1CCC(C(=O)O)O1.
What is the InChIKey of 5-[(2-ethoxy-4-methylphenyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is BNWAHYGQQMGMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-3-20-13-8-9(2)4-5-10(13)16-14(17)11-6-7-12(21-11)15(18)19/h4-5,8,11-12H,3,6-7H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-[(2-ethoxy-4-methylphenyl)carbamoyl]oxolane-2-carboxylic acid?
5-[(2-ethoxy-4-methylphenyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethoxy-4-methylphenyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102687855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).