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

C11H19NO — CID 164833397

IUPAC(1S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclopentane]-1'-ol
SMILESN[C@@H]1[C@@H]2CC[C@@H](C2)C12CCC(O)C2
InChIInChI=1S/C11H19NO/c12-10-7-1-2-8(5-7)11(10)4-3-9(13)6-11/h7-10,13H,1-6,12H2/t7-,8+,9?,10-,11?/m1/s1
InChIKeyZUPOAFGLCJCKRY-XJPIPGLHSA-N
MW181.28 g/mol
LogP1.27
Rot. Bonds

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

(1S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclopentane]-1'-ol (PubChem CID 164833397) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (1S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclopentane]-1'-ol.

Molecular Properties

Compound Name(1S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclopentane]-1'-ol
PubChem CID164833397
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(1S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclopentane]-1'-ol
SMILESN[C@@H]1[C@@H]2CC[C@@H](C2)C12CCC(O)C2
InChIInChI=1S/C11H19NO/c12-10-7-1-2-8(5-7)11(10)4-3-9(13)6-11/h7-10,13H,1-6,12H2/t7-,8+,9?,10-,11?/m1/s1
InChIKeyZUPOAFGLCJCKRY-XJPIPGLHSA-N
XLogP1.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclopentane]-1'-ol?
The IUPAC name of (1S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclopentane]-1'-ol (CID 164833397) is (1S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclopentane]-1'-ol.
What is the SMILES notation for (1S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclopentane]-1'-ol?
The canonical SMILES for (1S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclopentane]-1'-ol is N[C@@H]1[C@@H]2CC[C@@H](C2)C12CCC(O)C2.
What is the InChIKey of (1S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclopentane]-1'-ol?
The InChIKey is ZUPOAFGLCJCKRY-XJPIPGLHSA-N. The full InChI is InChI=1S/C11H19NO/c12-10-7-1-2-8(5-7)11(10)4-3-9(13)6-11/h7-10,13H,1-6,12H2/t7-,8+,9?,10-,11?/m1/s1.
What are the key properties of (1S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclopentane]-1'-ol?
(1S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclopentane]-1'-ol has a molecular weight of 181.28 g/mol, XLogP of 1.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclopentane]-1'-ol is sourced from PubChem (CID 164833397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).