2-amino-4-(N-ethyl-2-fluoroanilino)butanoic acid

C12H17FN2O2 — CID 63054175

IUPAC2-amino-4-(N-ethyl-2-fluoroanilino)butanoic acid
SMILESCCN(CCC(N)C(=O)O)c1ccccc1F
InChIInChI=1S/C12H17FN2O2/c1-2-15(8-7-10(14)12(16)17)11-6-4-3-5-9(11)13/h3-6,10H,2,7-8,14H2,1H3,(H,16,17)
InChIKeySMGYJAACFMGCRZ-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.45
Rot. Bonds6

About 2-amino-4-(N-ethyl-2-fluoroanilino)butanoic acid

2-amino-4-(N-ethyl-2-fluoroanilino)butanoic acid (PubChem CID 63054175) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-amino-4-(N-ethyl-2-fluoroanilino)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(N-ethyl-2-fluoroanilino)butanoic acid
PubChem CID63054175
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name2-amino-4-(N-ethyl-2-fluoroanilino)butanoic acid
SMILESCCN(CCC(N)C(=O)O)c1ccccc1F
InChIInChI=1S/C12H17FN2O2/c1-2-15(8-7-10(14)12(16)17)11-6-4-3-5-9(11)13/h3-6,10H,2,7-8,14H2,1H3,(H,16,17)
InChIKeySMGYJAACFMGCRZ-UHFFFAOYSA-N
XLogP1.45
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(N-ethylanilino)butanoic acid
CID 63027828
3-[2-fluoro-N-(3-methylbutyl)anilino]-2-methylpropanoic acid
CID 82319181
N'-ethyl-N'-(2-fluorophenyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 62618774
1-(4-chlorophenyl)-N'-ethyl-N'-(2-fluorophenyl)propane-1,3-diamine
CID 63493331
3-(N-ethyl-2-fluoroanilino)propanehydrazide
CID 63583064
2-amino-4-(N-ethyl-4-methylanilino)butanoic acid
CID 63052954
4-(N-ethyl-2-fluoroanilino)-2-(methylamino)butan-1-ol
CID 64791728
ethyl-(2-fluorophenyl)carbamic acid
CID 57376109
3-(N-ethyl-2-fluoroanilino)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83111121
(2S)-2-amino-3-cyclopropyl-N-ethyl-N-(2-fluorophenyl)propanamide
CID 112735328
2-[2-(N-ethyl-2-fluoroanilino)ethoxy]propanethioamide
CID 114266238
1-N-ethyl-1-N-(2-fluorophenyl)-4-methoxybutane-1,2-diamine
CID 62478003

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(N-ethyl-2-fluoroanilino)butanoic acid?
The IUPAC name of 2-amino-4-(N-ethyl-2-fluoroanilino)butanoic acid (CID 63054175) is 2-amino-4-(N-ethyl-2-fluoroanilino)butanoic acid.
What is the SMILES notation for 2-amino-4-(N-ethyl-2-fluoroanilino)butanoic acid?
The canonical SMILES for 2-amino-4-(N-ethyl-2-fluoroanilino)butanoic acid is CCN(CCC(N)C(=O)O)c1ccccc1F.
What is the InChIKey of 2-amino-4-(N-ethyl-2-fluoroanilino)butanoic acid?
The InChIKey is SMGYJAACFMGCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-2-15(8-7-10(14)12(16)17)11-6-4-3-5-9(11)13/h3-6,10H,2,7-8,14H2,1H3,(H,16,17).
What are the key properties of 2-amino-4-(N-ethyl-2-fluoroanilino)butanoic acid?
2-amino-4-(N-ethyl-2-fluoroanilino)butanoic acid has a molecular weight of 240.28 g/mol, XLogP of 1.45, 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-ethyl-2-fluoroanilino)butanoic acid is sourced from PubChem (CID 63054175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).