(1S,1'S,2'S,3S,4R)-3-amino-2'-methoxyspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol

C12H21NO2 — CID 164833346

IUPAC(1S,1'S,2'S,3S,4R)-3-amino-2'-methoxyspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol
SMILESCO[C@H]1CC2(C[C@@H]1O)[C@H]1CC[C@H](C1)[C@@H]2N
InChIInChI=1S/C12H21NO2/c1-15-10-6-12(5-9(10)14)8-3-2-7(4-8)11(12)13/h7-11,14H,2-6,13H2,1H3/t7-,8+,9+,10+,11+,12?/m1/s1
InChIKeyCJIIKUIYJNKQQP-BJAHRMTJSA-N
MW211.30 g/mol
LogP0.90
Rot. Bonds1

About (1S,1'S,2'S,3S,4R)-3-amino-2'-methoxyspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol

(1S,1'S,2'S,3S,4R)-3-amino-2'-methoxyspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol (PubChem CID 164833346) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (1S,1'S,2'S,3S,4R)-3-amino-2'-methoxyspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol.

Molecular Properties

Compound Name(1S,1'S,2'S,3S,4R)-3-amino-2'-methoxyspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol
PubChem CID164833346
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(1S,1'S,2'S,3S,4R)-3-amino-2'-methoxyspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol
SMILESCO[C@H]1CC2(C[C@@H]1O)[C@H]1CC[C@H](C1)[C@@H]2N
InChIInChI=1S/C12H21NO2/c1-15-10-6-12(5-9(10)14)8-3-2-7(4-8)11(12)13/h7-11,14H,2-6,13H2,1H3/t7-,8+,9+,10+,11+,12?/m1/s1
InChIKeyCJIIKUIYJNKQQP-BJAHRMTJSA-N
XLogP0.90
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,1'S,2'S,3S,4R)-3-amino-2'-methoxyspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol?
The IUPAC name of (1S,1'S,2'S,3S,4R)-3-amino-2'-methoxyspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol (CID 164833346) is (1S,1'S,2'S,3S,4R)-3-amino-2'-methoxyspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol.
What is the SMILES notation for (1S,1'S,2'S,3S,4R)-3-amino-2'-methoxyspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol?
The canonical SMILES for (1S,1'S,2'S,3S,4R)-3-amino-2'-methoxyspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol is CO[C@H]1CC2(C[C@@H]1O)[C@H]1CC[C@H](C1)[C@@H]2N.
What is the InChIKey of (1S,1'S,2'S,3S,4R)-3-amino-2'-methoxyspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol?
The InChIKey is CJIIKUIYJNKQQP-BJAHRMTJSA-N. The full InChI is InChI=1S/C12H21NO2/c1-15-10-6-12(5-9(10)14)8-3-2-7(4-8)11(12)13/h7-11,14H,2-6,13H2,1H3/t7-,8+,9+,10+,11+,12?/m1/s1.
What are the key properties of (1S,1'S,2'S,3S,4R)-3-amino-2'-methoxyspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol?
(1S,1'S,2'S,3S,4R)-3-amino-2'-methoxyspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol has a molecular weight of 211.30 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,1'S,2'S,3S,4R)-3-amino-2'-methoxyspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol is sourced from PubChem (CID 164833346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).