(2S,3R)-2-amino-3-hydroxybutaneperoxoic acid

C4H9NO4 — CID 87892301

IUPAC(2S,3R)-2-amino-3-hydroxybutaneperoxoic acid
SMILESC[C@@H](O)[C@H](N)C(=O)OO
InChIInChI=1S/C4H9NO4/c1-2(6)3(5)4(7)9-8/h2-3,6,8H,5H2,1H3/t2-,3+/m1/s1
InChIKeyPDJANWGLPMTPBQ-GBXIJSLDSA-N
MW135.12 g/mol
LogP-1.29
Rot. Bonds2

About (2S,3R)-2-amino-3-hydroxybutaneperoxoic acid

(2S,3R)-2-amino-3-hydroxybutaneperoxoic acid (PubChem CID 87892301) has the molecular formula C4H9NO4 and a molecular weight of 135.12 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-hydroxybutaneperoxoic acid.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-hydroxybutaneperoxoic acid
PubChem CID87892301
Molecular FormulaC4H9NO4
Molecular Weight135.12 g/mol
Exact Mass135.05
IUPAC Name(2S,3R)-2-amino-3-hydroxybutaneperoxoic acid
SMILESC[C@@H](O)[C@H](N)C(=O)OO
InChIInChI=1S/C4H9NO4/c1-2(6)3(5)4(7)9-8/h2-3,6,8H,5H2,1H3/t2-,3+/m1/s1
InChIKeyPDJANWGLPMTPBQ-GBXIJSLDSA-N
XLogP-1.29
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.12
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl (2S,3S)-2-amino-3-hydroxybutanoate
CID 93251792
phosphanyl (2S,3R)-2-amino-3-hydroxybutanoate
CID 174381323
propan-2-yl (2R,3R)-2-amino-3-hydroxybutanoate;hydrochloride
CID 122539225
tert-butyl (2R,3S)-2-amino-3-hydroxybutanoate
CID 6941814
(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
(2R,3S)-2-amino-3-hydroxybutanamide
CID 22877840
2-methoxyethyl 2-amino-3-hydroxybutanoate
CID 61279925
phosphono 2-amino-3-hydroxybutanoate
CID 23421193
(2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-hydroxybutanoyl]oxybutanoyl]oxybutanoic acid
CID 87087959
2-amino-3-hydroxybutanoic acid;selane
CID 174980406
(2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride
CID 122360052
4-amino-5-hydroxy-2-methylhexan-3-one
CID 58593164

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-hydroxybutaneperoxoic acid?
The IUPAC name of (2S,3R)-2-amino-3-hydroxybutaneperoxoic acid (CID 87892301) is (2S,3R)-2-amino-3-hydroxybutaneperoxoic acid.
What is the SMILES notation for (2S,3R)-2-amino-3-hydroxybutaneperoxoic acid?
The canonical SMILES for (2S,3R)-2-amino-3-hydroxybutaneperoxoic acid is C[C@@H](O)[C@H](N)C(=O)OO.
What is the InChIKey of (2S,3R)-2-amino-3-hydroxybutaneperoxoic acid?
The InChIKey is PDJANWGLPMTPBQ-GBXIJSLDSA-N. The full InChI is InChI=1S/C4H9NO4/c1-2(6)3(5)4(7)9-8/h2-3,6,8H,5H2,1H3/t2-,3+/m1/s1.
What are the key properties of (2S,3R)-2-amino-3-hydroxybutaneperoxoic acid?
(2S,3R)-2-amino-3-hydroxybutaneperoxoic acid has a molecular weight of 135.12 g/mol, XLogP of -1.29, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-hydroxybutaneperoxoic acid is sourced from PubChem (CID 87892301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).