4-(2-ethylanilino)oxane-4-carboxylic acid

C14H19NO3 — CID 114992560

IUPAC4-(2-ethylanilino)oxane-4-carboxylic acid
SMILESCCc1ccccc1NC1(C(=O)O)CCOCC1
InChIInChI=1S/C14H19NO3/c1-2-11-5-3-4-6-12(11)15-14(13(16)17)7-9-18-10-8-14/h3-6,15H,2,7-10H2,1H3,(H,16,17)
InChIKeyOQLJWSNMTOPQCN-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.29
Rot. Bonds4

About 4-(2-ethylanilino)oxane-4-carboxylic acid

4-(2-ethylanilino)oxane-4-carboxylic acid (PubChem CID 114992560) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-(2-ethylanilino)oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-(2-ethylanilino)oxane-4-carboxylic acid
PubChem CID114992560
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name4-(2-ethylanilino)oxane-4-carboxylic acid
SMILESCCc1ccccc1NC1(C(=O)O)CCOCC1
InChIInChI=1S/C14H19NO3/c1-2-11-5-3-4-6-12(11)15-14(13(16)17)7-9-18-10-8-14/h3-6,15H,2,7-10H2,1H3,(H,16,17)
InChIKeyOQLJWSNMTOPQCN-UHFFFAOYSA-N
XLogP2.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(trifluoromethyl)anilino]oxane-4-carboxylic acid
CID 78969335
3-(2-chloroanilino)oxolane-3-carboxylic acid
CID 63333124
4-[(2-cyano-3-pyridinyl)amino]oxane-4-carboxylic acid
CID 113280253
4-[3-(2-methylphenyl)propanoylamino]oxane-4-carboxylic acid
CID 115291472
4-[[2-(2-chlorophenyl)acetyl]amino]oxane-4-carboxylic acid
CID 115291582
4-[(2-chlorophenyl)methylamino]oxane-4-carboxylic acid;hydrochloride
CID 71432484
4-[[2-[2-(aminomethyl)phenyl]acetyl]amino]oxane-4-carboxylic acid
CID 115292476
1-(2-ethylsulfonylanilino)cyclobutane-1-carboxylic acid
CID 81164243
ethyl 4-(2-bromoanilino)oxepane-4-carboxylate
CID 65079402
3-[(2-amino-2-phenylpropanoyl)amino]oxolane-3-carboxylic acid
CID 64890052
ethyl 3-(2-methylanilino)oxolane-3-carboxylate
CID 63333123
4-(3-cyano-2-nitroanilino)oxane-4-carboxylic acid
CID 104717405

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylanilino)oxane-4-carboxylic acid?
The IUPAC name of 4-(2-ethylanilino)oxane-4-carboxylic acid (CID 114992560) is 4-(2-ethylanilino)oxane-4-carboxylic acid.
What is the SMILES notation for 4-(2-ethylanilino)oxane-4-carboxylic acid?
The canonical SMILES for 4-(2-ethylanilino)oxane-4-carboxylic acid is CCc1ccccc1NC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-(2-ethylanilino)oxane-4-carboxylic acid?
The InChIKey is OQLJWSNMTOPQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-11-5-3-4-6-12(11)15-14(13(16)17)7-9-18-10-8-14/h3-6,15H,2,7-10H2,1H3,(H,16,17).
What are the key properties of 4-(2-ethylanilino)oxane-4-carboxylic acid?
4-(2-ethylanilino)oxane-4-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylanilino)oxane-4-carboxylic acid is sourced from PubChem (CID 114992560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).