3-amino-2-[(2R)-2,7-dimethyl-4-oxaspiro[2.4]heptan-6-yl]propan-1-ol

C11H21NO2 — CID 163433096

IUPAC3-amino-2-[(2R)-2,7-dimethyl-4-oxaspiro[2.4]heptan-6-yl]propan-1-ol
SMILESCC1C(C(CN)CO)COC12C[C@H]2C
InChIInChI=1S/C11H21NO2/c1-7-3-11(7)8(2)10(6-14-11)9(4-12)5-13/h7-10,13H,3-6,12H2,1-2H3/t7-,8?,9?,10?,11?/m1/s1
InChIKeyASEQJSHIHLVAJY-MKMHIBQSSA-N
MW199.29 g/mol
LogP0.61
Rot. Bonds3

About 3-amino-2-[(2R)-2,7-dimethyl-4-oxaspiro[2.4]heptan-6-yl]propan-1-ol

3-amino-2-[(2R)-2,7-dimethyl-4-oxaspiro[2.4]heptan-6-yl]propan-1-ol (PubChem CID 163433096) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-amino-2-[(2R)-2,7-dimethyl-4-oxaspiro[2.4]heptan-6-yl]propan-1-ol.

Molecular Properties

Compound Name3-amino-2-[(2R)-2,7-dimethyl-4-oxaspiro[2.4]heptan-6-yl]propan-1-ol
PubChem CID163433096
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-amino-2-[(2R)-2,7-dimethyl-4-oxaspiro[2.4]heptan-6-yl]propan-1-ol
SMILESCC1C(C(CN)CO)COC12C[C@H]2C
InChIInChI=1S/C11H21NO2/c1-7-3-11(7)8(2)10(6-14-11)9(4-12)5-13/h7-10,13H,3-6,12H2,1-2H3/t7-,8?,9?,10?,11?/m1/s1
InChIKeyASEQJSHIHLVAJY-MKMHIBQSSA-N
XLogP0.61
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(2R)-2,7-dimethyl-4-oxaspiro[2.4]heptan-6-yl]propan-1-ol?
The IUPAC name of 3-amino-2-[(2R)-2,7-dimethyl-4-oxaspiro[2.4]heptan-6-yl]propan-1-ol (CID 163433096) is 3-amino-2-[(2R)-2,7-dimethyl-4-oxaspiro[2.4]heptan-6-yl]propan-1-ol.
What is the SMILES notation for 3-amino-2-[(2R)-2,7-dimethyl-4-oxaspiro[2.4]heptan-6-yl]propan-1-ol?
The canonical SMILES for 3-amino-2-[(2R)-2,7-dimethyl-4-oxaspiro[2.4]heptan-6-yl]propan-1-ol is CC1C(C(CN)CO)COC12C[C@H]2C.
What is the InChIKey of 3-amino-2-[(2R)-2,7-dimethyl-4-oxaspiro[2.4]heptan-6-yl]propan-1-ol?
The InChIKey is ASEQJSHIHLVAJY-MKMHIBQSSA-N. The full InChI is InChI=1S/C11H21NO2/c1-7-3-11(7)8(2)10(6-14-11)9(4-12)5-13/h7-10,13H,3-6,12H2,1-2H3/t7-,8?,9?,10?,11?/m1/s1.
What are the key properties of 3-amino-2-[(2R)-2,7-dimethyl-4-oxaspiro[2.4]heptan-6-yl]propan-1-ol?
3-amino-2-[(2R)-2,7-dimethyl-4-oxaspiro[2.4]heptan-6-yl]propan-1-ol has a molecular weight of 199.29 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(2R)-2,7-dimethyl-4-oxaspiro[2.4]heptan-6-yl]propan-1-ol is sourced from PubChem (CID 163433096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).