3-amino-2-hydroxybutanoic acid

C4H9NO3 — CID 10558608

IUPAC3-amino-2-hydroxybutanoic acid
SMILESCC(N)C(O)C(=O)O
InChIInChI=1S/C4H9NO3/c1-2(5)3(6)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)
InChIKeyQTRAXZHIRXYYPP-UHFFFAOYSA-N
MW119.12 g/mol
LogP-1.22
Rot. Bonds2

About 3-amino-2-hydroxybutanoic acid

3-amino-2-hydroxybutanoic acid (PubChem CID 10558608) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is 3-amino-2-hydroxybutanoic acid.

Molecular Properties

Compound Name3-amino-2-hydroxybutanoic acid
PubChem CID10558608
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name3-amino-2-hydroxybutanoic acid
SMILESCC(N)C(O)C(=O)O
InChIInChI=1S/C4H9NO3/c1-2(5)3(6)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)
InChIKeyQTRAXZHIRXYYPP-UHFFFAOYSA-N
XLogP-1.22
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxybutanoic acid?
The IUPAC name of 3-amino-2-hydroxybutanoic acid (CID 10558608) is 3-amino-2-hydroxybutanoic acid.
What is the SMILES notation for 3-amino-2-hydroxybutanoic acid?
The canonical SMILES for 3-amino-2-hydroxybutanoic acid is CC(N)C(O)C(=O)O.
What is the InChIKey of 3-amino-2-hydroxybutanoic acid?
The InChIKey is QTRAXZHIRXYYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c1-2(5)3(6)4(7)8/h2-3,6H,5H2,1H3,(H,7,8).
What are the key properties of 3-amino-2-hydroxybutanoic acid?
3-amino-2-hydroxybutanoic acid has a molecular weight of 119.12 g/mol, XLogP of -1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxybutanoic acid is sourced from PubChem (CID 10558608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).