(2S,3R,6R)-4-propyl-4-azaspiro[2.4]heptane-2,6-diol

C9H17NO2 — CID 163743712

IUPAC(2S,3R,6R)-4-propyl-4-azaspiro[2.4]heptane-2,6-diol
SMILESCCCN1C[C@H](O)C[C@@]12C[C@@H]2O
InChIInChI=1S/C9H17NO2/c1-2-3-10-6-7(11)4-9(10)5-8(9)12/h7-8,11-12H,2-6H2,1H3/t7-,8+,9+/m1/s1
InChIKeyLJZMYLSNMKMFEN-VGMNWLOBSA-N
MW171.24 g/mol
LogP-0.03
Rot. Bonds2

About (2S,3R,6R)-4-propyl-4-azaspiro[2.4]heptane-2,6-diol

(2S,3R,6R)-4-propyl-4-azaspiro[2.4]heptane-2,6-diol (PubChem CID 163743712) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (2S,3R,6R)-4-propyl-4-azaspiro[2.4]heptane-2,6-diol.

Molecular Properties

Compound Name(2S,3R,6R)-4-propyl-4-azaspiro[2.4]heptane-2,6-diol
PubChem CID163743712
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(2S,3R,6R)-4-propyl-4-azaspiro[2.4]heptane-2,6-diol
SMILESCCCN1C[C@H](O)C[C@@]12C[C@@H]2O
InChIInChI=1S/C9H17NO2/c1-2-3-10-6-7(11)4-9(10)5-8(9)12/h7-8,11-12H,2-6H2,1H3/t7-,8+,9+/m1/s1
InChIKeyLJZMYLSNMKMFEN-VGMNWLOBSA-N
XLogP-0.03
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 139430120
2-propyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
CID 10932632
1-[3-(dimethylamino)propyl]-5,5-dimethylpyrrolidin-3-ol
CID 117017918
1-(difluoromethyl)-2-propyl-2-azabicyclo[2.1.1]hexane
CID 178026347
5,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-ol
CID 117017917
1-[2-(4-propylpiperazin-1-yl)ethyl]azetidin-3-ol;tungsten
CID 156720012
5-ethyl-1-propylpyrrolidin-3-ol
CID 102568661
(3S)-1,5,5-trimethylpiperidin-3-ol
CID 166894829
(1R,5R)-8-propyl-8-azabicyclo[3.2.1]octan-3-ol
CID 6946851
5,5-difluoro-1-methylpiperidin-3-ol
CID 130890639
2-[4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 126822796
3-methyl-3-propylcyclobutan-1-ol
CID 176695385

Frequently Asked Questions

What is the IUPAC name of (2S,3R,6R)-4-propyl-4-azaspiro[2.4]heptane-2,6-diol?
The IUPAC name of (2S,3R,6R)-4-propyl-4-azaspiro[2.4]heptane-2,6-diol (CID 163743712) is (2S,3R,6R)-4-propyl-4-azaspiro[2.4]heptane-2,6-diol.
What is the SMILES notation for (2S,3R,6R)-4-propyl-4-azaspiro[2.4]heptane-2,6-diol?
The canonical SMILES for (2S,3R,6R)-4-propyl-4-azaspiro[2.4]heptane-2,6-diol is CCCN1C[C@H](O)C[C@@]12C[C@@H]2O.
What is the InChIKey of (2S,3R,6R)-4-propyl-4-azaspiro[2.4]heptane-2,6-diol?
The InChIKey is LJZMYLSNMKMFEN-VGMNWLOBSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-3-10-6-7(11)4-9(10)5-8(9)12/h7-8,11-12H,2-6H2,1H3/t7-,8+,9+/m1/s1.
What are the key properties of (2S,3R,6R)-4-propyl-4-azaspiro[2.4]heptane-2,6-diol?
(2S,3R,6R)-4-propyl-4-azaspiro[2.4]heptane-2,6-diol has a molecular weight of 171.24 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6R)-4-propyl-4-azaspiro[2.4]heptane-2,6-diol is sourced from PubChem (CID 163743712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).