(8S)-6-[(2S)-3-amino-2-hydroxypropyl]-6-azaspiro[2.5]octan-8-ol

C10H20N2O2 — CID 67080079

IUPAC(8S)-6-[(2S)-3-amino-2-hydroxypropyl]-6-azaspiro[2.5]octan-8-ol
SMILESNC[C@H](O)CN1CCC2(CC2)[C@H](O)C1
InChIInChI=1S/C10H20N2O2/c11-5-8(13)6-12-4-3-10(1-2-10)9(14)7-12/h8-9,13-14H,1-7,11H2/t8-,9+/m0/s1
InChIKeyKINZCKYFYHAOLH-DTWKUNHWSA-N
MW200.28 g/mol
LogP-0.85
Rot. Bonds3

About (8S)-6-[(2S)-3-amino-2-hydroxypropyl]-6-azaspiro[2.5]octan-8-ol

(8S)-6-[(2S)-3-amino-2-hydroxypropyl]-6-azaspiro[2.5]octan-8-ol (PubChem CID 67080079) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (8S)-6-[(2S)-3-amino-2-hydroxypropyl]-6-azaspiro[2.5]octan-8-ol.

Molecular Properties

Compound Name(8S)-6-[(2S)-3-amino-2-hydroxypropyl]-6-azaspiro[2.5]octan-8-ol
PubChem CID67080079
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(8S)-6-[(2S)-3-amino-2-hydroxypropyl]-6-azaspiro[2.5]octan-8-ol
SMILESNC[C@H](O)CN1CCC2(CC2)[C@H](O)C1
InChIInChI=1S/C10H20N2O2/c11-5-8(13)6-12-4-3-10(1-2-10)9(14)7-12/h8-9,13-14H,1-7,11H2/t8-,9+/m0/s1
InChIKeyKINZCKYFYHAOLH-DTWKUNHWSA-N
XLogP-0.85
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 131110917
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CID 130492464
(2S)-1-amino-3-(azonan-1-yl)propan-2-ol
CID 131048167
1-amino-3-(azonan-1-yl)propan-2-ol
CID 127001298
benzyl (2S)-4-[(2R)-2-hydroxy-3-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]propyl]-2-methyl-3-oxopiperazine-1-carboxylate
CID 67079827
(2S)-1-amino-3-(3,3-dimethylazetidin-1-yl)propan-2-ol
CID 130667772
1-amino-3-(4-propan-2-ylpiperidin-1-yl)propan-2-ol
CID 103494900
1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol
CID 20604768
1-amino-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol
CID 63608754
1-amino-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 62200170
[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-cyclohexylmethanone
CID 82023468
2-[4-(3-amino-2-hydroxypropyl)-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;gadolinium
CID 85360091

Frequently Asked Questions

What is the IUPAC name of (8S)-6-[(2S)-3-amino-2-hydroxypropyl]-6-azaspiro[2.5]octan-8-ol?
The IUPAC name of (8S)-6-[(2S)-3-amino-2-hydroxypropyl]-6-azaspiro[2.5]octan-8-ol (CID 67080079) is (8S)-6-[(2S)-3-amino-2-hydroxypropyl]-6-azaspiro[2.5]octan-8-ol.
What is the SMILES notation for (8S)-6-[(2S)-3-amino-2-hydroxypropyl]-6-azaspiro[2.5]octan-8-ol?
The canonical SMILES for (8S)-6-[(2S)-3-amino-2-hydroxypropyl]-6-azaspiro[2.5]octan-8-ol is NC[C@H](O)CN1CCC2(CC2)[C@H](O)C1.
What is the InChIKey of (8S)-6-[(2S)-3-amino-2-hydroxypropyl]-6-azaspiro[2.5]octan-8-ol?
The InChIKey is KINZCKYFYHAOLH-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H20N2O2/c11-5-8(13)6-12-4-3-10(1-2-10)9(14)7-12/h8-9,13-14H,1-7,11H2/t8-,9+/m0/s1.
What are the key properties of (8S)-6-[(2S)-3-amino-2-hydroxypropyl]-6-azaspiro[2.5]octan-8-ol?
(8S)-6-[(2S)-3-amino-2-hydroxypropyl]-6-azaspiro[2.5]octan-8-ol has a molecular weight of 200.28 g/mol, XLogP of -0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-6-[(2S)-3-amino-2-hydroxypropyl]-6-azaspiro[2.5]octan-8-ol is sourced from PubChem (CID 67080079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).