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

C11H19NO2 — CID 170440355

IUPAC(1S,2'S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1',2'-diol
SMILESN[C@@H]1[C@@H]2CC[C@@H](C2)C12CC(O)[C@@H](O)C2
InChIInChI=1S/C11H19NO2/c12-10-6-1-2-7(3-6)11(10)4-8(13)9(14)5-11/h6-10,13-14H,1-5,12H2/t6-,7+,8+,9?,10-,11?/m1/s1
InChIKeyAWYPMQOMBIUZFT-DNBBWIABSA-N
MW197.28 g/mol
LogP0.25
Rot. Bonds

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

(1S,2'S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1',2'-diol (PubChem CID 170440355) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (1S,2'S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1',2'-diol.

Molecular Properties

Compound Name(1S,2'S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1',2'-diol
PubChem CID170440355
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(1S,2'S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1',2'-diol
SMILESN[C@@H]1[C@@H]2CC[C@@H](C2)C12CC(O)[C@@H](O)C2
InChIInChI=1S/C11H19NO2/c12-10-6-1-2-7(3-6)11(10)4-8(13)9(14)5-11/h6-10,13-14H,1-5,12H2/t6-,7+,8+,9?,10-,11?/m1/s1
InChIKeyAWYPMQOMBIUZFT-DNBBWIABSA-N
XLogP0.25
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2'S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1',2'-diol?
The IUPAC name of (1S,2'S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1',2'-diol (CID 170440355) is (1S,2'S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1',2'-diol.
What is the SMILES notation for (1S,2'S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1',2'-diol?
The canonical SMILES for (1S,2'S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1',2'-diol is N[C@@H]1[C@@H]2CC[C@@H](C2)C12CC(O)[C@@H](O)C2.
What is the InChIKey of (1S,2'S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1',2'-diol?
The InChIKey is AWYPMQOMBIUZFT-DNBBWIABSA-N. The full InChI is InChI=1S/C11H19NO2/c12-10-6-1-2-7(3-6)11(10)4-8(13)9(14)5-11/h6-10,13-14H,1-5,12H2/t6-,7+,8+,9?,10-,11?/m1/s1.
What are the key properties of (1S,2'S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1',2'-diol?
(1S,2'S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1',2'-diol has a molecular weight of 197.28 g/mol, XLogP of 0.25, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2'S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1',2'-diol is sourced from PubChem (CID 170440355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).