(3S)-2-azido-3-hydroxy-4-methoxybutanoic acid

C5H9N3O4 — CID 175892963

IUPAC(3S)-2-azido-3-hydroxy-4-methoxybutanoic acid
SMILESCOC[C@@H](O)C(N=[N+]=[N-])C(=O)O
InChIInChI=1S/C5H9N3O4/c1-12-2-3(9)4(5(10)11)7-8-6/h3-4,9H,2H2,1H3,(H,10,11)/t3-,4?/m1/s1
InChIKeyJLEQZLAPXLMLLL-SYPWQXSBSA-N
MW175.14 g/mol
LogP-0.24
Rot. Bonds5

About (3S)-2-azido-3-hydroxy-4-methoxybutanoic acid

(3S)-2-azido-3-hydroxy-4-methoxybutanoic acid (PubChem CID 175892963) has the molecular formula C5H9N3O4 and a molecular weight of 175.14 g/mol. Its IUPAC name is (3S)-2-azido-3-hydroxy-4-methoxybutanoic acid.

Molecular Properties

Compound Name(3S)-2-azido-3-hydroxy-4-methoxybutanoic acid
PubChem CID175892963
Molecular FormulaC5H9N3O4
Molecular Weight175.14 g/mol
Exact Mass175.06
IUPAC Name(3S)-2-azido-3-hydroxy-4-methoxybutanoic acid
SMILESCOC[C@@H](O)C(N=[N+]=[N-])C(=O)O
InChIInChI=1S/C5H9N3O4/c1-12-2-3(9)4(5(10)11)7-8-6/h3-4,9H,2H2,1H3,(H,10,11)/t3-,4?/m1/s1
InChIKeyJLEQZLAPXLMLLL-SYPWQXSBSA-N
XLogP-0.24
TPSA115.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-2-azido-3-hydroxyhexanoic acid
CID 101025142
2-azido-3,4-dihydroxybutanoic acid
CID 122531609
dimethyl (2R,3R)-2-azido-3-hydroxybutanedioate
CID 14249484
2-azidopropanoic acid
CID 14720889
methyl (2S,3S)-2-azido-3-methylpentanoate
CID 57194503
methyl (2S)-2-azido-3-methylpentanoate
CID 102453240
(2S,3R)-2-azido-3-ethyl-5,5,5-trifluoropentanoic acid
CID 86594490
acetic acid;1-azido-2-(2-hydroxyethoxy)ethanol
CID 175140766
(2S,3S)-2-azido-3-methylpentanoyl chloride
CID 15953720
methyl (2S,3R)-2-azido-3-hydroxy-3-phenylpropanoate
CID 15138856
3,4-dihydroxy-5-methoxypentan-2-one
CID 126497812
ethyl (2S)-2-azidopropanoate
CID 15266179

Frequently Asked Questions

What is the IUPAC name of (3S)-2-azido-3-hydroxy-4-methoxybutanoic acid?
The IUPAC name of (3S)-2-azido-3-hydroxy-4-methoxybutanoic acid (CID 175892963) is (3S)-2-azido-3-hydroxy-4-methoxybutanoic acid.
What is the SMILES notation for (3S)-2-azido-3-hydroxy-4-methoxybutanoic acid?
The canonical SMILES for (3S)-2-azido-3-hydroxy-4-methoxybutanoic acid is COC[C@@H](O)C(N=[N+]=[N-])C(=O)O.
What is the InChIKey of (3S)-2-azido-3-hydroxy-4-methoxybutanoic acid?
The InChIKey is JLEQZLAPXLMLLL-SYPWQXSBSA-N. The full InChI is InChI=1S/C5H9N3O4/c1-12-2-3(9)4(5(10)11)7-8-6/h3-4,9H,2H2,1H3,(H,10,11)/t3-,4?/m1/s1.
What are the key properties of (3S)-2-azido-3-hydroxy-4-methoxybutanoic acid?
(3S)-2-azido-3-hydroxy-4-methoxybutanoic acid has a molecular weight of 175.14 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-azido-3-hydroxy-4-methoxybutanoic acid is sourced from PubChem (CID 175892963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).