2-amino-4-ethoxy-3-hydroxybutanoic acid

C6H13NO4 — CID 86136791

IUPAC2-amino-4-ethoxy-3-hydroxybutanoic acid
SMILESCCOCC(O)C(N)C(=O)O
InChIInChI=1S/C6H13NO4/c1-2-11-3-4(8)5(7)6(9)10/h4-5,8H,2-3,7H2,1H3,(H,9,10)
InChIKeyHGJWTABGNGOSDZ-UHFFFAOYSA-N
MW163.17 g/mol
LogP-1.20
Rot. Bonds5

About 2-amino-4-ethoxy-3-hydroxybutanoic acid

2-amino-4-ethoxy-3-hydroxybutanoic acid (PubChem CID 86136791) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is 2-amino-4-ethoxy-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-amino-4-ethoxy-3-hydroxybutanoic acid
PubChem CID86136791
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name2-amino-4-ethoxy-3-hydroxybutanoic acid
SMILESCCOCC(O)C(N)C(=O)O
InChIInChI=1S/C6H13NO4/c1-2-11-3-4(8)5(7)6(9)10/h4-5,8H,2-3,7H2,1H3,(H,9,10)
InChIKeyHGJWTABGNGOSDZ-UHFFFAOYSA-N
XLogP-1.20
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethoxy-3-hydroxybutanoic acid?
The IUPAC name of 2-amino-4-ethoxy-3-hydroxybutanoic acid (CID 86136791) is 2-amino-4-ethoxy-3-hydroxybutanoic acid.
What is the SMILES notation for 2-amino-4-ethoxy-3-hydroxybutanoic acid?
The canonical SMILES for 2-amino-4-ethoxy-3-hydroxybutanoic acid is CCOCC(O)C(N)C(=O)O.
What is the InChIKey of 2-amino-4-ethoxy-3-hydroxybutanoic acid?
The InChIKey is HGJWTABGNGOSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4/c1-2-11-3-4(8)5(7)6(9)10/h4-5,8H,2-3,7H2,1H3,(H,9,10).
What are the key properties of 2-amino-4-ethoxy-3-hydroxybutanoic acid?
2-amino-4-ethoxy-3-hydroxybutanoic acid has a molecular weight of 163.17 g/mol, XLogP of -1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethoxy-3-hydroxybutanoic acid is sourced from PubChem (CID 86136791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).