2-hydroxy-3,5,6,7,8,8a-hexahydro-1H-indolizine-2-carboxylic acid

C9H15NO3 — CID 83906916

IUPAC2-hydroxy-3,5,6,7,8,8a-hexahydro-1H-indolizine-2-carboxylic acid
SMILESO=C(O)C1(O)CC2CCCCN2C1
InChIInChI=1S/C9H15NO3/c11-8(12)9(13)5-7-3-1-2-4-10(7)6-9/h7,13H,1-6H2,(H,11,12)
InChIKeySSYBXLOTZPPMTB-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.06
Rot. Bonds1

About 2-hydroxy-3,5,6,7,8,8a-hexahydro-1H-indolizine-2-carboxylic acid

2-hydroxy-3,5,6,7,8,8a-hexahydro-1H-indolizine-2-carboxylic acid (PubChem CID 83906916) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-hydroxy-3,5,6,7,8,8a-hexahydro-1H-indolizine-2-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-3,5,6,7,8,8a-hexahydro-1H-indolizine-2-carboxylic acid
PubChem CID83906916
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-hydroxy-3,5,6,7,8,8a-hexahydro-1H-indolizine-2-carboxylic acid
SMILESO=C(O)C1(O)CC2CCCCN2C1
InChIInChI=1S/C9H15NO3/c11-8(12)9(13)5-7-3-1-2-4-10(7)6-9/h7,13H,1-6H2,(H,11,12)
InChIKeySSYBXLOTZPPMTB-UHFFFAOYSA-N
XLogP0.06
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-4-hydroxypiperidine-4-carboxylic acid
CID 115055583
2-(2-hydroxy-1,3,5,6,7,8-hexahydropyrrolizin-2-yl)acetic acid
CID 83906915
3-hydroxy-1-piperidin-4-ylpyrrolidine-3-carboxylic acid
CID 115028740
3-amino-1-cycloheptylpiperidine-3-carboxylic acid
CID 117011831
1-cyclobutyl-3-fluoropiperidine-3-carboxylic acid
CID 115022244
1-(1-cyclopentylpiperidin-4-yl)azepane;oxalic acid
CID 17369286
1-amino-3-(4-cyclopentylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79650906
2-propan-2-yl-1,3,5,6,7,8-hexahydropyrrolizin-2-ol
CID 84653547
(2R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxylic acid
CID 98202645
1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79633712
1-(cyclohexanecarbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119250882
1,4-dicyclopentylpiperazine;oxalic acid
CID 17369822

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,5,6,7,8,8a-hexahydro-1H-indolizine-2-carboxylic acid?
The IUPAC name of 2-hydroxy-3,5,6,7,8,8a-hexahydro-1H-indolizine-2-carboxylic acid (CID 83906916) is 2-hydroxy-3,5,6,7,8,8a-hexahydro-1H-indolizine-2-carboxylic acid.
What is the SMILES notation for 2-hydroxy-3,5,6,7,8,8a-hexahydro-1H-indolizine-2-carboxylic acid?
The canonical SMILES for 2-hydroxy-3,5,6,7,8,8a-hexahydro-1H-indolizine-2-carboxylic acid is O=C(O)C1(O)CC2CCCCN2C1.
What is the InChIKey of 2-hydroxy-3,5,6,7,8,8a-hexahydro-1H-indolizine-2-carboxylic acid?
The InChIKey is SSYBXLOTZPPMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c11-8(12)9(13)5-7-3-1-2-4-10(7)6-9/h7,13H,1-6H2,(H,11,12).
What are the key properties of 2-hydroxy-3,5,6,7,8,8a-hexahydro-1H-indolizine-2-carboxylic acid?
2-hydroxy-3,5,6,7,8,8a-hexahydro-1H-indolizine-2-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,5,6,7,8,8a-hexahydro-1H-indolizine-2-carboxylic acid is sourced from PubChem (CID 83906916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).