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

C12H21NO — CID 164833743

IUPAC(1S,1'S,2'S,3R,4R)-3-amino-2'-methylspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol
SMILESC[C@H]1CC2(C[C@@H]1O)[C@H]1CC[C@H](C1)[C@H]2N
InChIInChI=1S/C12H21NO/c1-7-5-12(6-10(7)14)9-3-2-8(4-9)11(12)13/h7-11,14H,2-6,13H2,1H3/t7-,8+,9-,10-,11+,12?/m0/s1
InChIKeyIVUDHRMEPINGLG-ZFOIQSNNSA-N
MW195.31 g/mol
LogP1.52
Rot. Bonds

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

(1S,1'S,2'S,3R,4R)-3-amino-2'-methylspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol (PubChem CID 164833743) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (1S,1'S,2'S,3R,4R)-3-amino-2'-methylspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol.

Molecular Properties

Compound Name(1S,1'S,2'S,3R,4R)-3-amino-2'-methylspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol
PubChem CID164833743
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(1S,1'S,2'S,3R,4R)-3-amino-2'-methylspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol
SMILESC[C@H]1CC2(C[C@@H]1O)[C@H]1CC[C@H](C1)[C@H]2N
InChIInChI=1S/C12H21NO/c1-7-5-12(6-10(7)14)9-3-2-8(4-9)11(12)13/h7-11,14H,2-6,13H2,1H3/t7-,8+,9-,10-,11+,12?/m0/s1
InChIKeyIVUDHRMEPINGLG-ZFOIQSNNSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2'S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1',2'-diol
CID 170440355
(1R,2'R,3S,4S)-3-aminospiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1',2'-diol
CID 167144751
(1S,2S,3'S,4R,4'S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine
CID 170439888
(2R,4S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 164833645
(1R,1'S,2S,2'S,3R,4S)-3-amino-2'-methoxyspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol
CID 164833586
(1R,2R,2'S,3S,4S)-3-amino-2'-methoxyspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol
CID 170440078
(1S,1'R,2R,2'R,3S,4R)-3-amino-2'-methoxyspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol
CID 164833608
(1R,1'R,2R,2'R,3S,4S)-3-amino-2'-methoxyspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol
CID 164833771
(1S,2S,3R,3'S,4R)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine
CID 164833383
(1R,2R,3S,3'S,4S)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 164833722
1-[(1S,1'R,2R,3S,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]ethanone
CID 170439845
1-[(1S,1'S,2S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]ethanone
CID 170439862

Frequently Asked Questions

What is the IUPAC name of (1S,1'S,2'S,3R,4R)-3-amino-2'-methylspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol?
The IUPAC name of (1S,1'S,2'S,3R,4R)-3-amino-2'-methylspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol (CID 164833743) is (1S,1'S,2'S,3R,4R)-3-amino-2'-methylspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol.
What is the SMILES notation for (1S,1'S,2'S,3R,4R)-3-amino-2'-methylspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol?
The canonical SMILES for (1S,1'S,2'S,3R,4R)-3-amino-2'-methylspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol is C[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,3R,4R)-3-amino-2'-methylspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol?
The InChIKey is IVUDHRMEPINGLG-ZFOIQSNNSA-N. The full InChI is InChI=1S/C12H21NO/c1-7-5-12(6-10(7)14)9-3-2-8(4-9)11(12)13/h7-11,14H,2-6,13H2,1H3/t7-,8+,9-,10-,11+,12?/m0/s1.
What are the key properties of (1S,1'S,2'S,3R,4R)-3-amino-2'-methylspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol?
(1S,1'S,2'S,3R,4R)-3-amino-2'-methylspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol has a molecular weight of 195.31 g/mol, XLogP of 1.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,1'S,2'S,3R,4R)-3-amino-2'-methylspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol is sourced from PubChem (CID 164833743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).