1-(3-amino-1-hydroxycyclobutyl)-2-methylpropan-1-one

C8H15NO2 — CID 58503260

IUPAC1-(3-amino-1-hydroxycyclobutyl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1(O)CC(N)C1
InChIInChI=1S/C8H15NO2/c1-5(2)7(10)8(11)3-6(9)4-8/h5-6,11H,3-4,9H2,1-2H3
InChIKeyJADBDLVQVHEFJO-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.06
Rot. Bonds2

About 1-(3-amino-1-hydroxycyclobutyl)-2-methylpropan-1-one

1-(3-amino-1-hydroxycyclobutyl)-2-methylpropan-1-one (PubChem CID 58503260) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-(3-amino-1-hydroxycyclobutyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-amino-1-hydroxycyclobutyl)-2-methylpropan-1-one
PubChem CID58503260
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-(3-amino-1-hydroxycyclobutyl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1(O)CC(N)C1
InChIInChI=1S/C8H15NO2/c1-5(2)7(10)8(11)3-6(9)4-8/h5-6,11H,3-4,9H2,1-2H3
InChIKeyJADBDLVQVHEFJO-UHFFFAOYSA-N
XLogP0.06
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1-hydroxycyclobutyl)-2-methylpropan-1-one?
The IUPAC name of 1-(3-amino-1-hydroxycyclobutyl)-2-methylpropan-1-one (CID 58503260) is 1-(3-amino-1-hydroxycyclobutyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-amino-1-hydroxycyclobutyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(3-amino-1-hydroxycyclobutyl)-2-methylpropan-1-one is CC(C)C(=O)C1(O)CC(N)C1.
What is the InChIKey of 1-(3-amino-1-hydroxycyclobutyl)-2-methylpropan-1-one?
The InChIKey is JADBDLVQVHEFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5(2)7(10)8(11)3-6(9)4-8/h5-6,11H,3-4,9H2,1-2H3.
What are the key properties of 1-(3-amino-1-hydroxycyclobutyl)-2-methylpropan-1-one?
1-(3-amino-1-hydroxycyclobutyl)-2-methylpropan-1-one has a molecular weight of 157.21 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1-hydroxycyclobutyl)-2-methylpropan-1-one is sourced from PubChem (CID 58503260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).