5-[(2-ethylanilino)methyl]oxolane-2-carboxylic acid

C14H19NO3 — CID 103235884

IUPAC5-[(2-ethylanilino)methyl]oxolane-2-carboxylic acid
SMILESCCc1ccccc1NCC1CCC(C(=O)O)O1
InChIInChI=1S/C14H19NO3/c1-2-10-5-3-4-6-12(10)15-9-11-7-8-13(18-11)14(16)17/h3-6,11,13,15H,2,7-9H2,1H3,(H,16,17)
InChIKeyMNKFYKJHRASMFG-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.29
Rot. Bonds5

About 5-[(2-ethylanilino)methyl]oxolane-2-carboxylic acid

5-[(2-ethylanilino)methyl]oxolane-2-carboxylic acid (PubChem CID 103235884) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-[(2-ethylanilino)methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-ethylanilino)methyl]oxolane-2-carboxylic acid
PubChem CID103235884
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name5-[(2-ethylanilino)methyl]oxolane-2-carboxylic acid
SMILESCCc1ccccc1NCC1CCC(C(=O)O)O1
InChIInChI=1S/C14H19NO3/c1-2-10-5-3-4-6-12(10)15-9-11-7-8-13(18-11)14(16)17/h3-6,11,13,15H,2,7-9H2,1H3,(H,16,17)
InChIKeyMNKFYKJHRASMFG-UHFFFAOYSA-N
XLogP2.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

5-[[3-bromo-2-(methoxymethyl)anilino]methyl]oxolane-2-carboxylic acid
CID 103242770
5-[(4-bromo-2,3-dichloroanilino)methyl]oxolane-2-carboxylic acid
CID 114001953
5-[(1,2,4-benzotriazin-3-ylamino)methyl]oxolane-2-carboxylic acid
CID 103203816
5-[[5-bromo-2-(trifluoromethyl)anilino]methyl]oxolane-2-carboxylic acid
CID 107285612
5-[(3-methylpentan-3-ylamino)methyl]oxolane-2-carboxylic acid
CID 106330184
5-[(5-bromo-2-carbamoylanilino)methyl]oxolane-2-carboxylic acid
CID 114901123
5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]oxolane-2-carboxylic acid
CID 105362154
5-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]oxolane-2-carboxylic acid
CID 106892442
5-[[(4-ethoxypyrimidin-2-yl)amino]methyl]oxolane-2-carboxylic acid
CID 112636199
2-(ethoxymethyl)-N-[(5-methyloxolan-2-yl)methyl]aniline
CID 82836648
5-[(2-methylpropylamino)methyl]oxolane-2-carboxylic acid
CID 103231044
5-[(3,4-dicyanoanilino)methyl]oxolane-2-carboxylic acid
CID 107791351

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylanilino)methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(2-ethylanilino)methyl]oxolane-2-carboxylic acid (CID 103235884) is 5-[(2-ethylanilino)methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(2-ethylanilino)methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(2-ethylanilino)methyl]oxolane-2-carboxylic acid is CCc1ccccc1NCC1CCC(C(=O)O)O1.
What is the InChIKey of 5-[(2-ethylanilino)methyl]oxolane-2-carboxylic acid?
The InChIKey is MNKFYKJHRASMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-10-5-3-4-6-12(10)15-9-11-7-8-13(18-11)14(16)17/h3-6,11,13,15H,2,7-9H2,1H3,(H,16,17).
What are the key properties of 5-[(2-ethylanilino)methyl]oxolane-2-carboxylic acid?
5-[(2-ethylanilino)methyl]oxolane-2-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylanilino)methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 103235884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).