(2R)-1-(1-azaspiro[3.3]heptan-1-yl)butan-2-ol

C10H19NO — CID 131019050

IUPAC(2R)-1-(1-azaspiro[3.3]heptan-1-yl)butan-2-ol
SMILESCC[C@@H](O)CN1CCC12CCC2
InChIInChI=1S/C10H19NO/c1-2-9(12)8-11-7-6-10(11)4-3-5-10/h9,12H,2-8H2,1H3/t9-/m1/s1
InChIKeyOYZMAGXCLSMBQR-SECBINFHSA-N
MW169.27 g/mol
LogP1.39
Rot. Bonds3

About (2R)-1-(1-azaspiro[3.3]heptan-1-yl)butan-2-ol

(2R)-1-(1-azaspiro[3.3]heptan-1-yl)butan-2-ol (PubChem CID 131019050) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2R)-1-(1-azaspiro[3.3]heptan-1-yl)butan-2-ol.

Molecular Properties

Compound Name(2R)-1-(1-azaspiro[3.3]heptan-1-yl)butan-2-ol
PubChem CID131019050
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2R)-1-(1-azaspiro[3.3]heptan-1-yl)butan-2-ol
SMILESCC[C@@H](O)CN1CCC12CCC2
InChIInChI=1S/C10H19NO/c1-2-9(12)8-11-7-6-10(11)4-3-5-10/h9,12H,2-8H2,1H3/t9-/m1/s1
InChIKeyOYZMAGXCLSMBQR-SECBINFHSA-N
XLogP1.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-azaspiro[3.3]heptan-1-yl)butan-2-ol?
The IUPAC name of (2R)-1-(1-azaspiro[3.3]heptan-1-yl)butan-2-ol (CID 131019050) is (2R)-1-(1-azaspiro[3.3]heptan-1-yl)butan-2-ol.
What is the SMILES notation for (2R)-1-(1-azaspiro[3.3]heptan-1-yl)butan-2-ol?
The canonical SMILES for (2R)-1-(1-azaspiro[3.3]heptan-1-yl)butan-2-ol is CC[C@@H](O)CN1CCC12CCC2.
What is the InChIKey of (2R)-1-(1-azaspiro[3.3]heptan-1-yl)butan-2-ol?
The InChIKey is OYZMAGXCLSMBQR-SECBINFHSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-9(12)8-11-7-6-10(11)4-3-5-10/h9,12H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-1-(1-azaspiro[3.3]heptan-1-yl)butan-2-ol?
(2R)-1-(1-azaspiro[3.3]heptan-1-yl)butan-2-ol has a molecular weight of 169.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-azaspiro[3.3]heptan-1-yl)butan-2-ol is sourced from PubChem (CID 131019050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).