(2S)-2-(methoxyamino)propanenitrile

C4H8N2O — CID 88713172

IUPAC(2S)-2-(methoxyamino)propanenitrile
SMILESCON[C@@H](C)C#N
InChIInChI=1S/C4H8N2O/c1-4(3-5)6-7-2/h4,6H,1-2H3/t4-/m0/s1
InChIKeyWKURFAXAAGITLX-BYPYZUCNSA-N
MW100.12 g/mol
LogP0.05
Rot. Bonds2

About (2S)-2-(methoxyamino)propanenitrile

(2S)-2-(methoxyamino)propanenitrile (PubChem CID 88713172) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is (2S)-2-(methoxyamino)propanenitrile.

Molecular Properties

Compound Name(2S)-2-(methoxyamino)propanenitrile
PubChem CID88713172
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name(2S)-2-(methoxyamino)propanenitrile
SMILESCON[C@@H](C)C#N
InChIInChI=1S/C4H8N2O/c1-4(3-5)6-7-2/h4,6H,1-2H3/t4-/m0/s1
InChIKeyWKURFAXAAGITLX-BYPYZUCNSA-N
XLogP0.05
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxyamino)propanenitrile?
The IUPAC name of (2S)-2-(methoxyamino)propanenitrile (CID 88713172) is (2S)-2-(methoxyamino)propanenitrile.
What is the SMILES notation for (2S)-2-(methoxyamino)propanenitrile?
The canonical SMILES for (2S)-2-(methoxyamino)propanenitrile is CON[C@@H](C)C#N.
What is the InChIKey of (2S)-2-(methoxyamino)propanenitrile?
The InChIKey is WKURFAXAAGITLX-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H8N2O/c1-4(3-5)6-7-2/h4,6H,1-2H3/t4-/m0/s1.
What are the key properties of (2S)-2-(methoxyamino)propanenitrile?
(2S)-2-(methoxyamino)propanenitrile has a molecular weight of 100.12 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxyamino)propanenitrile is sourced from PubChem (CID 88713172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).