(6R)-6-[(cyclopropylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol

C10H17NO2 — CID 169259164

IUPAC(6R)-6-[(cyclopropylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol
SMILESO[C@]1(CNC2CC2)COC2(CC2)C1
InChIInChI=1S/C10H17NO2/c12-9(6-11-8-1-2-8)5-10(3-4-10)13-7-9/h8,11-12H,1-7H2/t9-/m1/s1
InChIKeyNLVHKWILLMKSHO-SECBINFHSA-N
MW183.25 g/mol
LogP0.42
Rot. Bonds3

About (6R)-6-[(cyclopropylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol

(6R)-6-[(cyclopropylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol (PubChem CID 169259164) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (6R)-6-[(cyclopropylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol.

Molecular Properties

Compound Name(6R)-6-[(cyclopropylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol
PubChem CID169259164
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(6R)-6-[(cyclopropylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol
SMILESO[C@]1(CNC2CC2)COC2(CC2)C1
InChIInChI=1S/C10H17NO2/c12-9(6-11-8-1-2-8)5-10(3-4-10)13-7-9/h8,11-12H,1-7H2/t9-/m1/s1
InChIKeyNLVHKWILLMKSHO-SECBINFHSA-N
XLogP0.42
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(cyclopropylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol?
The IUPAC name of (6R)-6-[(cyclopropylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol (CID 169259164) is (6R)-6-[(cyclopropylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol.
What is the SMILES notation for (6R)-6-[(cyclopropylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol?
The canonical SMILES for (6R)-6-[(cyclopropylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol is O[C@]1(CNC2CC2)COC2(CC2)C1.
What is the InChIKey of (6R)-6-[(cyclopropylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol?
The InChIKey is NLVHKWILLMKSHO-SECBINFHSA-N. The full InChI is InChI=1S/C10H17NO2/c12-9(6-11-8-1-2-8)5-10(3-4-10)13-7-9/h8,11-12H,1-7H2/t9-/m1/s1.
What are the key properties of (6R)-6-[(cyclopropylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol?
(6R)-6-[(cyclopropylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol has a molecular weight of 183.25 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(cyclopropylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol is sourced from PubChem (CID 169259164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).