(2S,3R)-4-amino-2,3-dihydroxybutanoic acid

C4H9NO4 — CID 82667910

IUPAC(2S,3R)-4-amino-2,3-dihydroxybutanoic acid
SMILESNC[C@@H](O)[C@H](O)C(=O)O
InChIInChI=1S/C4H9NO4/c5-1-2(6)3(7)4(8)9/h2-3,6-7H,1,5H2,(H,8,9)/t2-,3+/m1/s1
InChIKeyWITVYMTUWTVRND-GBXIJSLDSA-N
MW135.12 g/mol
LogP-2.25
Rot. Bonds3

About (2S,3R)-4-amino-2,3-dihydroxybutanoic acid

(2S,3R)-4-amino-2,3-dihydroxybutanoic acid (PubChem CID 82667910) has the molecular formula C4H9NO4 and a molecular weight of 135.12 g/mol. Its IUPAC name is (2S,3R)-4-amino-2,3-dihydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-4-amino-2,3-dihydroxybutanoic acid
PubChem CID82667910
Molecular FormulaC4H9NO4
Molecular Weight135.12 g/mol
Exact Mass135.05
IUPAC Name(2S,3R)-4-amino-2,3-dihydroxybutanoic acid
SMILESNC[C@@H](O)[C@H](O)C(=O)O
InChIInChI=1S/C4H9NO4/c5-1-2(6)3(7)4(8)9/h2-3,6-7H,1,5H2,(H,8,9)/t2-,3+/m1/s1
InChIKeyWITVYMTUWTVRND-GBXIJSLDSA-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 (2S,3R)-4-amino-2,3-dihydroxybutanoic acid?
The IUPAC name of (2S,3R)-4-amino-2,3-dihydroxybutanoic acid (CID 82667910) is (2S,3R)-4-amino-2,3-dihydroxybutanoic acid.
What is the SMILES notation for (2S,3R)-4-amino-2,3-dihydroxybutanoic acid?
The canonical SMILES for (2S,3R)-4-amino-2,3-dihydroxybutanoic acid is NC[C@@H](O)[C@H](O)C(=O)O.
What is the InChIKey of (2S,3R)-4-amino-2,3-dihydroxybutanoic acid?
The InChIKey is WITVYMTUWTVRND-GBXIJSLDSA-N. The full InChI is InChI=1S/C4H9NO4/c5-1-2(6)3(7)4(8)9/h2-3,6-7H,1,5H2,(H,8,9)/t2-,3+/m1/s1.
What are the key properties of (2S,3R)-4-amino-2,3-dihydroxybutanoic acid?
(2S,3R)-4-amino-2,3-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 (2S,3R)-4-amino-2,3-dihydroxybutanoic acid is sourced from PubChem (CID 82667910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).