2-amino-4-(N-ethylanilino)butanoic acid

C12H18N2O2 — CID 63027828

IUPAC2-amino-4-(N-ethylanilino)butanoic acid
SMILESCCN(CCC(N)C(=O)O)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-2-14(9-8-11(13)12(15)16)10-6-4-3-5-7-10/h3-7,11H,2,8-9,13H2,1H3,(H,15,16)
InChIKeyOANCNJCAFDQVQK-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.31
Rot. Bonds6

About 2-amino-4-(N-ethylanilino)butanoic acid

2-amino-4-(N-ethylanilino)butanoic acid (PubChem CID 63027828) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-amino-4-(N-ethylanilino)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(N-ethylanilino)butanoic acid
PubChem CID63027828
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-amino-4-(N-ethylanilino)butanoic acid
SMILESCCN(CCC(N)C(=O)O)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-2-14(9-8-11(13)12(15)16)10-6-4-3-5-7-10/h3-7,11H,2,8-9,13H2,1H3,(H,15,16)
InChIKeyOANCNJCAFDQVQK-UHFFFAOYSA-N
XLogP1.31
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(N-ethyl-4-methylanilino)butanoic acid
CID 63052954
2-amino-4-(N-ethyl-2-fluoroanilino)butanoic acid
CID 63054175
(2S)-2-amino-4-(N-propan-2-ylanilino)butanoic acid
CID 172529241
2-amino-N-[3-(N-ethylanilino)propyl]pentanamide
CID 61260460
2-amino-4-(N-ethyl-4-fluoroanilino)butanamide
CID 63054688
2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide
CID 61259917
(2S)-2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide
CID 61258840
2-(cyclopropylamino)-4-(N-ethylanilino)butanoic acid
CID 63027827
2-amino-3-[4-[benzyl(ethyl)amino]phenyl]propanoic acid
CID 170880297
4-(N-ethylanilino)butanoic acid
CID 11390560
2-amino-3-[4-(diethylamino)phenyl]propanoic acid;dihydrochloride
CID 18314886
2-amino-3-[3-(diethylamino)phenyl]propanoic acid
CID 22603383

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(N-ethylanilino)butanoic acid?
The IUPAC name of 2-amino-4-(N-ethylanilino)butanoic acid (CID 63027828) is 2-amino-4-(N-ethylanilino)butanoic acid.
What is the SMILES notation for 2-amino-4-(N-ethylanilino)butanoic acid?
The canonical SMILES for 2-amino-4-(N-ethylanilino)butanoic acid is CCN(CCC(N)C(=O)O)c1ccccc1.
What is the InChIKey of 2-amino-4-(N-ethylanilino)butanoic acid?
The InChIKey is OANCNJCAFDQVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-14(9-8-11(13)12(15)16)10-6-4-3-5-7-10/h3-7,11H,2,8-9,13H2,1H3,(H,15,16).
What are the key properties of 2-amino-4-(N-ethylanilino)butanoic acid?
2-amino-4-(N-ethylanilino)butanoic acid has a molecular weight of 222.29 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(N-ethylanilino)butanoic acid is sourced from PubChem (CID 63027828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).