4-amino-3-methoxybutanoic acid

C5H11NO3 — CID 22719429

IUPAC4-amino-3-methoxybutanoic acid
SMILESCOC(CN)CC(=O)O
InChIInChI=1S/C5H11NO3/c1-9-4(3-6)2-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
InChIKeyKDDFWVJBNGUBLI-UHFFFAOYSA-N
MW133.15 g/mol
LogP-0.57
Rot. Bonds4

About 4-amino-3-methoxybutanoic acid

4-amino-3-methoxybutanoic acid (PubChem CID 22719429) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 4-amino-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-amino-3-methoxybutanoic acid
PubChem CID22719429
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name4-amino-3-methoxybutanoic acid
SMILESCOC(CN)CC(=O)O
InChIInChI=1S/C5H11NO3/c1-9-4(3-6)2-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
InChIKeyKDDFWVJBNGUBLI-UHFFFAOYSA-N
XLogP-0.57
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxybutanoic acid?
The IUPAC name of 4-amino-3-methoxybutanoic acid (CID 22719429) is 4-amino-3-methoxybutanoic acid.
What is the SMILES notation for 4-amino-3-methoxybutanoic acid?
The canonical SMILES for 4-amino-3-methoxybutanoic acid is COC(CN)CC(=O)O.
What is the InChIKey of 4-amino-3-methoxybutanoic acid?
The InChIKey is KDDFWVJBNGUBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-9-4(3-6)2-5(7)8/h4H,2-3,6H2,1H3,(H,7,8).
What are the key properties of 4-amino-3-methoxybutanoic acid?
4-amino-3-methoxybutanoic acid has a molecular weight of 133.15 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxybutanoic acid is sourced from PubChem (CID 22719429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).