4-Amino-3-hydroxybutanoic acid

C4H9NO3 — CID 2149

IUPAC4-amino-3-hydroxybutanoic acid
SMILESC(C(CN)O)C(=O)O
InChIInChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)
InChIKeyYQGDEPYYFWUPGO-UHFFFAOYSA-N
MW119.12 g/mol
LogP-4.10
Rot. Bonds3

About 4-Amino-3-hydroxybutanoic acid

4-Amino-3-hydroxybutanoic acid (PubChem CID 2149) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is 4-amino-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-Amino-3-hydroxybutanoic acid
PubChem CID2149
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name4-amino-3-hydroxybutanoic acid
SMILESC(C(CN)O)C(=O)O
InChIInChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)
InChIKeyYQGDEPYYFWUPGO-UHFFFAOYSA-N
XLogP-4.10
TPSA83.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity83

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-4.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-Amino-3-hydroxybutanoic acid?
The IUPAC name of 4-Amino-3-hydroxybutanoic acid (CID 2149) is 4-amino-3-hydroxybutanoic acid.
What is the SMILES notation for 4-Amino-3-hydroxybutanoic acid?
The canonical SMILES for 4-Amino-3-hydroxybutanoic acid is C(C(CN)O)C(=O)O.
What is the InChIKey of 4-Amino-3-hydroxybutanoic acid?
The InChIKey is YQGDEPYYFWUPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8).
What are the key properties of 4-Amino-3-hydroxybutanoic acid?
4-Amino-3-hydroxybutanoic acid has a molecular weight of 119.12 g/mol, XLogP of -4.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Amino-3-hydroxybutanoic acid is sourced from PubChem (CID 2149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).