3-(N-ethylanilino)propanoic acid

C11H15NO2 — CID 910534

IUPAC3-(N-ethylanilino)propanoic acid
SMILESCCN(CCC(=O)O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-2-12(9-8-11(13)14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14)
InChIKeyJACCLQAUXMZURT-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.99
Rot. Bonds5

About 3-(N-ethylanilino)propanoic acid

3-(N-ethylanilino)propanoic acid (PubChem CID 910534) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(N-ethylanilino)propanoic acid.

Molecular Properties

Compound Name3-(N-ethylanilino)propanoic acid
PubChem CID910534
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-(N-ethylanilino)propanoic acid
SMILESCCN(CCC(=O)O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-2-12(9-8-11(13)14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14)
InChIKeyJACCLQAUXMZURT-UHFFFAOYSA-N
XLogP1.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-((1-Methylethyl)phenylamino)-2-oxoacetic acid
CID 155385
N-Phenylglycine
CID 66025
N-Ethyl-N-phenylacetamide
CID 10727
Ethanol, 2,2'-(phenylimino)bis-, 1,1'-diacetate
CID 29521
N-Phenyliminodiacetic acid
CID 136915
Glycine, N-acetyl-N-phenyl-
CID 68483
Mercury, (acetato-O)(4-(diethylamino)phenyl)-
CID 16683021
N-Propylacetanilide
CID 17098
Ethanol, 2-(ethylphenylamino)-, 1-acetate
CID 113382
Propionanilide, N-butyl-
CID 94892
N-Phenyl-beta-alanine
CID 244082
1-Phenyl-4-piperidinone
CID 413009

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethylanilino)propanoic acid?
The IUPAC name of 3-(N-ethylanilino)propanoic acid (CID 910534) is 3-(N-ethylanilino)propanoic acid.
What is the SMILES notation for 3-(N-ethylanilino)propanoic acid?
The canonical SMILES for 3-(N-ethylanilino)propanoic acid is CCN(CCC(=O)O)c1ccccc1.
What is the InChIKey of 3-(N-ethylanilino)propanoic acid?
The InChIKey is JACCLQAUXMZURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-12(9-8-11(13)14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14).
What are the key properties of 3-(N-ethylanilino)propanoic acid?
3-(N-ethylanilino)propanoic acid has a molecular weight of 193.25 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethylanilino)propanoic acid is sourced from PubChem (CID 910534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).