(2S,3S)-2-methoxy-3-nitrobutane

C5H11NO3 — CID 102061131

IUPAC(2S,3S)-2-methoxy-3-nitrobutane
SMILESCO[C@@H](C)[C@H](C)[N+](=O)[O-]
InChIInChI=1S/C5H11NO3/c1-4(6(7)8)5(2)9-3/h4-5H,1-3H3/t4-,5-/m0/s1
InChIKeyOUXAUAGTKLTDKI-WHFBIAKZSA-N
MW133.15 g/mol
LogP0.69
Rot. Bonds3

About (2S,3S)-2-methoxy-3-nitrobutane

(2S,3S)-2-methoxy-3-nitrobutane (PubChem CID 102061131) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is (2S,3S)-2-methoxy-3-nitrobutane.

Molecular Properties

Compound Name(2S,3S)-2-methoxy-3-nitrobutane
PubChem CID102061131
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name(2S,3S)-2-methoxy-3-nitrobutane
SMILESCO[C@@H](C)[C@H](C)[N+](=O)[O-]
InChIInChI=1S/C5H11NO3/c1-4(6(7)8)5(2)9-3/h4-5H,1-3H3/t4-,5-/m0/s1
InChIKeyOUXAUAGTKLTDKI-WHFBIAKZSA-N
XLogP0.69
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methoxy-3-nitrobutane?
The IUPAC name of (2S,3S)-2-methoxy-3-nitrobutane (CID 102061131) is (2S,3S)-2-methoxy-3-nitrobutane.
What is the SMILES notation for (2S,3S)-2-methoxy-3-nitrobutane?
The canonical SMILES for (2S,3S)-2-methoxy-3-nitrobutane is CO[C@@H](C)[C@H](C)[N+](=O)[O-].
What is the InChIKey of (2S,3S)-2-methoxy-3-nitrobutane?
The InChIKey is OUXAUAGTKLTDKI-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H11NO3/c1-4(6(7)8)5(2)9-3/h4-5H,1-3H3/t4-,5-/m0/s1.
What are the key properties of (2S,3S)-2-methoxy-3-nitrobutane?
(2S,3S)-2-methoxy-3-nitrobutane has a molecular weight of 133.15 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methoxy-3-nitrobutane is sourced from PubChem (CID 102061131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).