(2S)-1-aminooxy-3-chloropropan-2-ol

C3H8ClNO2 — CID 129235257

IUPAC(2S)-1-aminooxy-3-chloropropan-2-ol
SMILESNOC[C@H](O)CCl
InChIInChI=1S/C3H8ClNO2/c4-1-3(6)2-7-5/h3,6H,1-2,5H2/t3-/m1/s1
InChIKeyVASRNGXFYNXNCB-GSVOUGTGSA-N
MW125.56 g/mol
LogP-0.52
Rot. Bonds3

About (2S)-1-aminooxy-3-chloropropan-2-ol

(2S)-1-aminooxy-3-chloropropan-2-ol (PubChem CID 129235257) has the molecular formula C3H8ClNO2 and a molecular weight of 125.56 g/mol. Its IUPAC name is (2S)-1-aminooxy-3-chloropropan-2-ol.

Molecular Properties

Compound Name(2S)-1-aminooxy-3-chloropropan-2-ol
PubChem CID129235257
Molecular FormulaC3H8ClNO2
Molecular Weight125.56 g/mol
Exact Mass125.02
IUPAC Name(2S)-1-aminooxy-3-chloropropan-2-ol
SMILESNOC[C@H](O)CCl
InChIInChI=1S/C3H8ClNO2/c4-1-3(6)2-7-5/h3,6H,1-2,5H2/t3-/m1/s1
InChIKeyVASRNGXFYNXNCB-GSVOUGTGSA-N
XLogP-0.52
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.56
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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)-1-aminooxy-3-chloropropan-2-ol?
The IUPAC name of (2S)-1-aminooxy-3-chloropropan-2-ol (CID 129235257) is (2S)-1-aminooxy-3-chloropropan-2-ol.
What is the SMILES notation for (2S)-1-aminooxy-3-chloropropan-2-ol?
The canonical SMILES for (2S)-1-aminooxy-3-chloropropan-2-ol is NOC[C@H](O)CCl.
What is the InChIKey of (2S)-1-aminooxy-3-chloropropan-2-ol?
The InChIKey is VASRNGXFYNXNCB-GSVOUGTGSA-N. The full InChI is InChI=1S/C3H8ClNO2/c4-1-3(6)2-7-5/h3,6H,1-2,5H2/t3-/m1/s1.
What are the key properties of (2S)-1-aminooxy-3-chloropropan-2-ol?
(2S)-1-aminooxy-3-chloropropan-2-ol has a molecular weight of 125.56 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-aminooxy-3-chloropropan-2-ol is sourced from PubChem (CID 129235257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).