2-amino-4-hydroxybutanoic acid

C4H9NO3 — CID 779

IUPAC2-amino-4-hydroxybutanoic acid
SMILESNC(CCO)C(=O)O
InChIInChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)
InChIKeyUKAUYVFTDYCKQA-UHFFFAOYSA-N
MW119.12 g/mol
LogP-1.22
Rot. Bonds3

About 2-amino-4-hydroxybutanoic acid

2-amino-4-hydroxybutanoic acid (PubChem CID 779) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is 2-amino-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-amino-4-hydroxybutanoic acid
PubChem CID779
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name2-amino-4-hydroxybutanoic acid
SMILESNC(CCO)C(=O)O
InChIInChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)
InChIKeyUKAUYVFTDYCKQA-UHFFFAOYSA-N
XLogP-1.22
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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 2-amino-4-hydroxybutanoic acid?
The IUPAC name of 2-amino-4-hydroxybutanoic acid (CID 779) is 2-amino-4-hydroxybutanoic acid.
What is the SMILES notation for 2-amino-4-hydroxybutanoic acid?
The canonical SMILES for 2-amino-4-hydroxybutanoic acid is NC(CCO)C(=O)O.
What is the InChIKey of 2-amino-4-hydroxybutanoic acid?
The InChIKey is UKAUYVFTDYCKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8).
What are the key properties of 2-amino-4-hydroxybutanoic acid?
2-amino-4-hydroxybutanoic acid has a molecular weight of 119.12 g/mol, XLogP of -1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hydroxybutanoic acid is sourced from PubChem (CID 779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).