4-(N-ethylanilino)butanoic acid

C12H17NO2 — CID 11390560

IUPAC4-(N-ethylanilino)butanoic acid
SMILESCCN(CCCC(=O)O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-2-13(10-6-9-12(14)15)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,14,15)
InChIKeyQZZSUGSQTFDHQE-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.38
Rot. Bonds6

About 4-(N-ethylanilino)butanoic acid

4-(N-ethylanilino)butanoic acid (PubChem CID 11390560) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-(N-ethylanilino)butanoic acid.

Molecular Properties

Compound Name4-(N-ethylanilino)butanoic acid
PubChem CID11390560
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-(N-ethylanilino)butanoic acid
SMILESCCN(CCCC(=O)O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-2-13(10-6-9-12(14)15)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,14,15)
InChIKeyQZZSUGSQTFDHQE-UHFFFAOYSA-N
XLogP2.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(N-ethylanilino)hexan-3-one
CID 106801166
4-(N-ethyl-3-hydroxyanilino)butanoic acid
CID 103275044
4-(N-ethyl-4-formylanilino)butanoic acid
CID 22561269
4-[N-(2-aminoethyl)anilino]butanoic acid
CID 63654603
4-[N-(2-methylpentyl)anilino]butanoic acid
CID 62265556
4-[N-[(4-methylphenyl)methyl]anilino]butanoic acid
CID 60839271
4-[N-[3-(2-methoxyethoxy)propyl]anilino]butanoic acid
CID 103410825
3-(N-ethylanilino)propane-1-sulfinic acid
CID 121219374
3-[N-[3-(dimethylamino)propyl]anilino]propanoic acid
CID 82319994
4-[[ethyl(phenyl)carbamoyl]-methylamino]butanoic acid
CID 43329801
4-(N-ethylanilino)butanimidamide
CID 24691564
3-[N-(3-ethylsulfanylpropyl)anilino]propanoic acid
CID 113473905

Frequently Asked Questions

What is the IUPAC name of 4-(N-ethylanilino)butanoic acid?
The IUPAC name of 4-(N-ethylanilino)butanoic acid (CID 11390560) is 4-(N-ethylanilino)butanoic acid.
What is the SMILES notation for 4-(N-ethylanilino)butanoic acid?
The canonical SMILES for 4-(N-ethylanilino)butanoic acid is CCN(CCCC(=O)O)c1ccccc1.
What is the InChIKey of 4-(N-ethylanilino)butanoic acid?
The InChIKey is QZZSUGSQTFDHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-13(10-6-9-12(14)15)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,14,15).
What are the key properties of 4-(N-ethylanilino)butanoic acid?
4-(N-ethylanilino)butanoic acid has a molecular weight of 207.27 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethylanilino)butanoic acid is sourced from PubChem (CID 11390560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).