(1S)-1-amino-1-aminooxy-3-ethyl-3-methylpentan-2-one

C8H18N2O2 — CID 88934109

IUPAC(1S)-1-amino-1-aminooxy-3-ethyl-3-methylpentan-2-one
SMILESCCC(C)(CC)C(=O)[C@@H](N)ON
InChIInChI=1S/C8H18N2O2/c1-4-8(3,5-2)6(11)7(9)12-10/h7H,4-5,9-10H2,1-3H3/t7-/m0/s1
InChIKeyRYSWEZCGDLYDLB-ZETCQYMHSA-N
MW174.24 g/mol
LogP0.56
Rot. Bonds5

About (1S)-1-amino-1-aminooxy-3-ethyl-3-methylpentan-2-one

(1S)-1-amino-1-aminooxy-3-ethyl-3-methylpentan-2-one (PubChem CID 88934109) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is (1S)-1-amino-1-aminooxy-3-ethyl-3-methylpentan-2-one.

Molecular Properties

Compound Name(1S)-1-amino-1-aminooxy-3-ethyl-3-methylpentan-2-one
PubChem CID88934109
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name(1S)-1-amino-1-aminooxy-3-ethyl-3-methylpentan-2-one
SMILESCCC(C)(CC)C(=O)[C@@H](N)ON
InChIInChI=1S/C8H18N2O2/c1-4-8(3,5-2)6(11)7(9)12-10/h7H,4-5,9-10H2,1-3H3/t7-/m0/s1
InChIKeyRYSWEZCGDLYDLB-ZETCQYMHSA-N
XLogP0.56
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 (1S)-1-amino-1-aminooxy-3-ethyl-3-methylpentan-2-one?
The IUPAC name of (1S)-1-amino-1-aminooxy-3-ethyl-3-methylpentan-2-one (CID 88934109) is (1S)-1-amino-1-aminooxy-3-ethyl-3-methylpentan-2-one.
What is the SMILES notation for (1S)-1-amino-1-aminooxy-3-ethyl-3-methylpentan-2-one?
The canonical SMILES for (1S)-1-amino-1-aminooxy-3-ethyl-3-methylpentan-2-one is CCC(C)(CC)C(=O)[C@@H](N)ON.
What is the InChIKey of (1S)-1-amino-1-aminooxy-3-ethyl-3-methylpentan-2-one?
The InChIKey is RYSWEZCGDLYDLB-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-4-8(3,5-2)6(11)7(9)12-10/h7H,4-5,9-10H2,1-3H3/t7-/m0/s1.
What are the key properties of (1S)-1-amino-1-aminooxy-3-ethyl-3-methylpentan-2-one?
(1S)-1-amino-1-aminooxy-3-ethyl-3-methylpentan-2-one has a molecular weight of 174.24 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-amino-1-aminooxy-3-ethyl-3-methylpentan-2-one is sourced from PubChem (CID 88934109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).