2-amino-3,4-dihydroxybutanoic acid

C4H9NO4 — CID 3914727

IUPAC2-amino-3,4-dihydroxybutanoic acid
SMILESNC(C(=O)O)C(O)CO
InChIInChI=1S/C4H9NO4/c5-3(4(8)9)2(7)1-6/h2-3,6-7H,1,5H2,(H,8,9)
InChIKeyJBNUARFQOCGDRK-UHFFFAOYSA-N
MW135.12 g/mol
LogP-2.25
Rot. Bonds3

About 2-amino-3,4-dihydroxybutanoic acid

2-amino-3,4-dihydroxybutanoic acid (PubChem CID 3914727) has the molecular formula C4H9NO4 and a molecular weight of 135.12 g/mol. Its IUPAC name is 2-amino-3,4-dihydroxybutanoic acid.

Molecular Properties

Compound Name2-amino-3,4-dihydroxybutanoic acid
PubChem CID3914727
Molecular FormulaC4H9NO4
Molecular Weight135.12 g/mol
Exact Mass135.05
IUPAC Name2-amino-3,4-dihydroxybutanoic acid
SMILESNC(C(=O)O)C(O)CO
InChIInChI=1S/C4H9NO4/c5-3(4(8)9)2(7)1-6/h2-3,6-7H,1,5H2,(H,8,9)
InChIKeyJBNUARFQOCGDRK-UHFFFAOYSA-N
XLogP-2.25
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.12
LogP ≤ 5-2.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,4-dihydroxybutanoic acid?
The IUPAC name of 2-amino-3,4-dihydroxybutanoic acid (CID 3914727) is 2-amino-3,4-dihydroxybutanoic acid.
What is the SMILES notation for 2-amino-3,4-dihydroxybutanoic acid?
The canonical SMILES for 2-amino-3,4-dihydroxybutanoic acid is NC(C(=O)O)C(O)CO.
What is the InChIKey of 2-amino-3,4-dihydroxybutanoic acid?
The InChIKey is JBNUARFQOCGDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO4/c5-3(4(8)9)2(7)1-6/h2-3,6-7H,1,5H2,(H,8,9).
What are the key properties of 2-amino-3,4-dihydroxybutanoic acid?
2-amino-3,4-dihydroxybutanoic acid has a molecular weight of 135.12 g/mol, XLogP of -2.25, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,4-dihydroxybutanoic acid is sourced from PubChem (CID 3914727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).