1,2-dihydroxy-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid

C10H17NO4 — CID 58111756

IUPAC1,2-dihydroxy-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid
SMILESCC1CCCN2C(C(=O)O)C(O)C(O)C12
InChIInChI=1S/C10H17NO4/c1-5-3-2-4-11-6(5)8(12)9(13)7(11)10(14)15/h5-9,12-13H,2-4H2,1H3,(H,14,15)
InChIKeyDDTNNIMXHUHLPG-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.72
Rot. Bonds1

About 1,2-dihydroxy-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid

1,2-dihydroxy-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid (PubChem CID 58111756) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1,2-dihydroxy-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid.

Molecular Properties

Compound Name1,2-dihydroxy-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid
PubChem CID58111756
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name1,2-dihydroxy-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid
SMILESCC1CCCN2C(C(=O)O)C(O)C(O)C12
InChIInChI=1S/C10H17NO4/c1-5-3-2-4-11-6(5)8(12)9(13)7(11)10(14)15/h5-9,12-13H,2-4H2,1H3,(H,14,15)
InChIKeyDDTNNIMXHUHLPG-UHFFFAOYSA-N
XLogP-0.72
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroxy-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid?
The IUPAC name of 1,2-dihydroxy-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid (CID 58111756) is 1,2-dihydroxy-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid.
What is the SMILES notation for 1,2-dihydroxy-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid?
The canonical SMILES for 1,2-dihydroxy-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid is CC1CCCN2C(C(=O)O)C(O)C(O)C12.
What is the InChIKey of 1,2-dihydroxy-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid?
The InChIKey is DDTNNIMXHUHLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-5-3-2-4-11-6(5)8(12)9(13)7(11)10(14)15/h5-9,12-13H,2-4H2,1H3,(H,14,15).
What are the key properties of 1,2-dihydroxy-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid?
1,2-dihydroxy-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of -0.72, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroxy-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid is sourced from PubChem (CID 58111756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).