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

C11H23NO3 — CID 64695231

IUPAC3-amino-2-(2-ethylhexoxy)propanoic acid
SMILESCCCCC(CC)COC(CN)C(=O)O
InChIInChI=1S/C11H23NO3/c1-3-5-6-9(4-2)8-15-10(7-12)11(13)14/h9-10H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyBKAUOMFKONAVJK-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.63
Rot. Bonds9

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

3-amino-2-(2-ethylhexoxy)propanoic acid (PubChem CID 64695231) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-amino-2-(2-ethylhexoxy)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(2-ethylhexoxy)propanoic acid
PubChem CID64695231
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name3-amino-2-(2-ethylhexoxy)propanoic acid
SMILESCCCCC(CC)COC(CN)C(=O)O
InChIInChI=1S/C11H23NO3/c1-3-5-6-9(4-2)8-15-10(7-12)11(13)14/h9-10H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyBKAUOMFKONAVJK-UHFFFAOYSA-N
XLogP1.63
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-ethylhexoxy)propanoic acid?
The IUPAC name of 3-amino-2-(2-ethylhexoxy)propanoic acid (CID 64695231) is 3-amino-2-(2-ethylhexoxy)propanoic acid.
What is the SMILES notation for 3-amino-2-(2-ethylhexoxy)propanoic acid?
The canonical SMILES for 3-amino-2-(2-ethylhexoxy)propanoic acid is CCCCC(CC)COC(CN)C(=O)O.
What is the InChIKey of 3-amino-2-(2-ethylhexoxy)propanoic acid?
The InChIKey is BKAUOMFKONAVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-3-5-6-9(4-2)8-15-10(7-12)11(13)14/h9-10H,3-8,12H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-2-(2-ethylhexoxy)propanoic acid?
3-amino-2-(2-ethylhexoxy)propanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.63, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-ethylhexoxy)propanoic acid is sourced from PubChem (CID 64695231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).