(1R,2S)-1-amino-1-cyclobutylpropan-2-ol

C7H15NO — CID 55295105

IUPAC(1R,2S)-1-amino-1-cyclobutylpropan-2-ol
SMILESC[C@H](O)[C@H](N)C1CCC1
InChIInChI=1S/C7H15NO/c1-5(9)7(8)6-3-2-4-6/h5-7,9H,2-4,8H2,1H3/t5-,7-/m0/s1
InChIKeyJPJPJKQLTULCSB-FSPLSTOPSA-N
MW129.20 g/mol
LogP0.49
Rot. Bonds2

About (1R,2S)-1-amino-1-cyclobutylpropan-2-ol

(1R,2S)-1-amino-1-cyclobutylpropan-2-ol (PubChem CID 55295105) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-cyclobutylpropan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-cyclobutylpropan-2-ol
PubChem CID55295105
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(1R,2S)-1-amino-1-cyclobutylpropan-2-ol
SMILESC[C@H](O)[C@H](N)C1CCC1
InChIInChI=1S/C7H15NO/c1-5(9)7(8)6-3-2-4-6/h5-7,9H,2-4,8H2,1H3/t5-,7-/m0/s1
InChIKeyJPJPJKQLTULCSB-FSPLSTOPSA-N
XLogP0.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-cyclobutylpropan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-cyclobutylpropan-2-ol (CID 55295105) is (1R,2S)-1-amino-1-cyclobutylpropan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-cyclobutylpropan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-cyclobutylpropan-2-ol is C[C@H](O)[C@H](N)C1CCC1.
What is the InChIKey of (1R,2S)-1-amino-1-cyclobutylpropan-2-ol?
The InChIKey is JPJPJKQLTULCSB-FSPLSTOPSA-N. The full InChI is InChI=1S/C7H15NO/c1-5(9)7(8)6-3-2-4-6/h5-7,9H,2-4,8H2,1H3/t5-,7-/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-cyclobutylpropan-2-ol?
(1R,2S)-1-amino-1-cyclobutylpropan-2-ol has a molecular weight of 129.20 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-cyclobutylpropan-2-ol is sourced from PubChem (CID 55295105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).