1-amino-3-(chloroamino)-4-cyclobutyl-1-hydroxybutan-2-one

C8H15ClN2O2 — CID 143708489

IUPAC1-amino-3-(chloroamino)-4-cyclobutyl-1-hydroxybutan-2-one
SMILESNC(O)C(=O)C(CC1CCC1)NCl
InChIInChI=1S/C8H15ClN2O2/c9-11-6(7(12)8(10)13)4-5-2-1-3-5/h5-6,8,11,13H,1-4,10H2
InChIKeyWSBOSMRXISALEX-UHFFFAOYSA-N
MW206.67 g/mol
LogP0.13
Rot. Bonds5

About 1-amino-3-(chloroamino)-4-cyclobutyl-1-hydroxybutan-2-one

1-amino-3-(chloroamino)-4-cyclobutyl-1-hydroxybutan-2-one (PubChem CID 143708489) has the molecular formula C8H15ClN2O2 and a molecular weight of 206.67 g/mol. Its IUPAC name is 1-amino-3-(chloroamino)-4-cyclobutyl-1-hydroxybutan-2-one.

Molecular Properties

Compound Name1-amino-3-(chloroamino)-4-cyclobutyl-1-hydroxybutan-2-one
PubChem CID143708489
Molecular FormulaC8H15ClN2O2
Molecular Weight206.67 g/mol
Exact Mass206.08
IUPAC Name1-amino-3-(chloroamino)-4-cyclobutyl-1-hydroxybutan-2-one
SMILESNC(O)C(=O)C(CC1CCC1)NCl
InChIInChI=1S/C8H15ClN2O2/c9-11-6(7(12)8(10)13)4-5-2-1-3-5/h5-6,8,11,13H,1-4,10H2
InChIKeyWSBOSMRXISALEX-UHFFFAOYSA-N
XLogP0.13
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(chloroamino)-4-cyclobutyl-1-hydroxybutan-2-one?
The IUPAC name of 1-amino-3-(chloroamino)-4-cyclobutyl-1-hydroxybutan-2-one (CID 143708489) is 1-amino-3-(chloroamino)-4-cyclobutyl-1-hydroxybutan-2-one.
What is the SMILES notation for 1-amino-3-(chloroamino)-4-cyclobutyl-1-hydroxybutan-2-one?
The canonical SMILES for 1-amino-3-(chloroamino)-4-cyclobutyl-1-hydroxybutan-2-one is NC(O)C(=O)C(CC1CCC1)NCl.
What is the InChIKey of 1-amino-3-(chloroamino)-4-cyclobutyl-1-hydroxybutan-2-one?
The InChIKey is WSBOSMRXISALEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O2/c9-11-6(7(12)8(10)13)4-5-2-1-3-5/h5-6,8,11,13H,1-4,10H2.
What are the key properties of 1-amino-3-(chloroamino)-4-cyclobutyl-1-hydroxybutan-2-one?
1-amino-3-(chloroamino)-4-cyclobutyl-1-hydroxybutan-2-one has a molecular weight of 206.67 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(chloroamino)-4-cyclobutyl-1-hydroxybutan-2-one is sourced from PubChem (CID 143708489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).