4-[ethyl-[2-(4-methylphenyl)acetyl]amino]oxolane-3-carboxylic acid

C16H21NO4 — CID 66246021

IUPAC4-[ethyl-[2-(4-methylphenyl)acetyl]amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)Cc1ccc(C)cc1)C1COCC1C(=O)O
InChIInChI=1S/C16H21NO4/c1-3-17(14-10-21-9-13(14)16(19)20)15(18)8-12-6-4-11(2)5-7-12/h4-7,13-14H,3,8-10H2,1-2H3,(H,19,20)
InChIKeyAJMURBRXVQOFNM-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.49
Rot. Bonds5

About 4-[ethyl-[2-(4-methylphenyl)acetyl]amino]oxolane-3-carboxylic acid

4-[ethyl-[2-(4-methylphenyl)acetyl]amino]oxolane-3-carboxylic acid (PubChem CID 66246021) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[ethyl-[2-(4-methylphenyl)acetyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-[2-(4-methylphenyl)acetyl]amino]oxolane-3-carboxylic acid
PubChem CID66246021
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name4-[ethyl-[2-(4-methylphenyl)acetyl]amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)Cc1ccc(C)cc1)C1COCC1C(=O)O
InChIInChI=1S/C16H21NO4/c1-3-17(14-10-21-9-13(14)16(19)20)15(18)8-12-6-4-11(2)5-7-12/h4-7,13-14H,3,8-10H2,1-2H3,(H,19,20)
InChIKeyAJMURBRXVQOFNM-UHFFFAOYSA-N
XLogP1.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl-(2-thiophen-2-ylacetyl)amino]oxolane-3-carboxylic acid
CID 66245055
4-[(4-methylbenzoyl)-propylamino]oxolane-3-carboxylic acid
CID 66254149
4-[ethyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxolane-3-carboxylic acid
CID 112602262
4-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]oxolane-3-carboxylic acid
CID 66246837
4-[(2-acetamidoacetyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245449
4-[(2,3-dimethylbenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 66246027
4-[[2-(4-methoxyphenyl)acetyl]-methylamino]oxolane-3-carboxylic acid
CID 66238179
4-[ethyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 106315698
4-[ethyl-(5-methylpyridine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66245826
4-[ethyl(methylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245135
4-[cyclopent-3-ene-1-carbonyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66246028
4-[ethyl(thiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66247016

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[2-(4-methylphenyl)acetyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-[2-(4-methylphenyl)acetyl]amino]oxolane-3-carboxylic acid (CID 66246021) is 4-[ethyl-[2-(4-methylphenyl)acetyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-[2-(4-methylphenyl)acetyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-[2-(4-methylphenyl)acetyl]amino]oxolane-3-carboxylic acid is CCN(C(=O)Cc1ccc(C)cc1)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-[2-(4-methylphenyl)acetyl]amino]oxolane-3-carboxylic acid?
The InChIKey is AJMURBRXVQOFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-3-17(14-10-21-9-13(14)16(19)20)15(18)8-12-6-4-11(2)5-7-12/h4-7,13-14H,3,8-10H2,1-2H3,(H,19,20).
What are the key properties of 4-[ethyl-[2-(4-methylphenyl)acetyl]amino]oxolane-3-carboxylic acid?
4-[ethyl-[2-(4-methylphenyl)acetyl]amino]oxolane-3-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[2-(4-methylphenyl)acetyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66246021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).