2-amino-3-(2-ethylanilino)propanoic acid

C11H16N2O2 — CID 103235875

IUPAC2-amino-3-(2-ethylanilino)propanoic acid
SMILESCCc1ccccc1NCC(N)C(=O)O
InChIInChI=1S/C11H16N2O2/c1-2-8-5-3-4-6-10(8)13-7-9(12)11(14)15/h3-6,9,13H,2,7,12H2,1H3,(H,14,15)
InChIKeySUEHFZDNLAVZQG-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.07
Rot. Bonds5

About 2-amino-3-(2-ethylanilino)propanoic acid

2-amino-3-(2-ethylanilino)propanoic acid (PubChem CID 103235875) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-amino-3-(2-ethylanilino)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-ethylanilino)propanoic acid
PubChem CID103235875
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-amino-3-(2-ethylanilino)propanoic acid
SMILESCCc1ccccc1NCC(N)C(=O)O
InChIInChI=1S/C11H16N2O2/c1-2-8-5-3-4-6-10(8)13-7-9(12)11(14)15/h3-6,9,13H,2,7,12H2,1H3,(H,14,15)
InChIKeySUEHFZDNLAVZQG-UHFFFAOYSA-N
XLogP1.07
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethylanilino)-2-phenylpropanoic acid
CID 64566858
2-amino-3-(2-propylanilino)propanamide
CID 103246191
2-amino-3-[2-(methoxymethyl)anilino]propanamide
CID 103247186
2-amino-3-[(2-methylphenyl)methylamino]propanoic acid
CID 64583841
(2S)-2-amino-3-[2-(carbamoylamino)phenyl]propanoic acid
CID 141451014
ethyl 2-(2-ethylanilino)acetate
CID 28583397
2-amino-3-(2-bromo-4-methylanilino)propanoic acid
CID 103231660
2-(2-ethylanilino)-N-(2-methylpropyl)acetamide
CID 28583341
1-ethoxy-3-(2-ethylanilino)propan-2-ol
CID 63934398
2-(2-ethylanilino)-1-(furan-2-yl)ethanol
CID 55025106
2-amino-3-[2-(methanesulfonamido)phenyl]propanoic acid
CID 22395840
2-ethyl-N-[(2-ethylphenyl)methyl]aniline
CID 55197677

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-ethylanilino)propanoic acid?
The IUPAC name of 2-amino-3-(2-ethylanilino)propanoic acid (CID 103235875) is 2-amino-3-(2-ethylanilino)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-ethylanilino)propanoic acid?
The canonical SMILES for 2-amino-3-(2-ethylanilino)propanoic acid is CCc1ccccc1NCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(2-ethylanilino)propanoic acid?
The InChIKey is SUEHFZDNLAVZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-8-5-3-4-6-10(8)13-7-9(12)11(14)15/h3-6,9,13H,2,7,12H2,1H3,(H,14,15).
What are the key properties of 2-amino-3-(2-ethylanilino)propanoic acid?
2-amino-3-(2-ethylanilino)propanoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-ethylanilino)propanoic acid is sourced from PubChem (CID 103235875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).