2-(hydroxyamino)-1-[(2R)-2-methyloxiran-2-yl]ethanone

C5H9NO3 — CID 89202968

IUPAC2-(hydroxyamino)-1-[(2R)-2-methyloxiran-2-yl]ethanone
SMILESC[C@]1(C(=O)CNO)CO1
InChIInChI=1S/C5H9NO3/c1-5(3-9-5)4(7)2-6-8/h6,8H,2-3H2,1H3/t5-/m1/s1
InChIKeyAJQQFAMUXNUDHO-RXMQYKEDSA-N
MW131.13 g/mol
LogP-0.68
Rot. Bonds3

About 2-(hydroxyamino)-1-[(2R)-2-methyloxiran-2-yl]ethanone

2-(hydroxyamino)-1-[(2R)-2-methyloxiran-2-yl]ethanone (PubChem CID 89202968) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 2-(hydroxyamino)-1-[(2R)-2-methyloxiran-2-yl]ethanone.

Molecular Properties

Compound Name2-(hydroxyamino)-1-[(2R)-2-methyloxiran-2-yl]ethanone
PubChem CID89202968
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name2-(hydroxyamino)-1-[(2R)-2-methyloxiran-2-yl]ethanone
SMILESC[C@]1(C(=O)CNO)CO1
InChIInChI=1S/C5H9NO3/c1-5(3-9-5)4(7)2-6-8/h6,8H,2-3H2,1H3/t5-/m1/s1
InChIKeyAJQQFAMUXNUDHO-RXMQYKEDSA-N
XLogP-0.68
TPSA61.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxyamino)-1-[(2R)-2-methyloxiran-2-yl]ethanone?
The IUPAC name of 2-(hydroxyamino)-1-[(2R)-2-methyloxiran-2-yl]ethanone (CID 89202968) is 2-(hydroxyamino)-1-[(2R)-2-methyloxiran-2-yl]ethanone.
What is the SMILES notation for 2-(hydroxyamino)-1-[(2R)-2-methyloxiran-2-yl]ethanone?
The canonical SMILES for 2-(hydroxyamino)-1-[(2R)-2-methyloxiran-2-yl]ethanone is C[C@]1(C(=O)CNO)CO1.
What is the InChIKey of 2-(hydroxyamino)-1-[(2R)-2-methyloxiran-2-yl]ethanone?
The InChIKey is AJQQFAMUXNUDHO-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H9NO3/c1-5(3-9-5)4(7)2-6-8/h6,8H,2-3H2,1H3/t5-/m1/s1.
What are the key properties of 2-(hydroxyamino)-1-[(2R)-2-methyloxiran-2-yl]ethanone?
2-(hydroxyamino)-1-[(2R)-2-methyloxiran-2-yl]ethanone has a molecular weight of 131.13 g/mol, XLogP of -0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxyamino)-1-[(2R)-2-methyloxiran-2-yl]ethanone is sourced from PubChem (CID 89202968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).