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

C9H15NO3 — CID 154810488

IUPAC(2R,8aS)-2-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylic acid
SMILESO=C(O)[C@@]12CCCCN1C[C@H](O)C2
InChIInChI=1S/C9H15NO3/c11-7-5-9(8(12)13)3-1-2-4-10(9)6-7/h7,11H,1-6H2,(H,12,13)/t7-,9+/m1/s1
InChIKeyJVDDKCWCIKURRJ-APPZFPTMSA-N
MW185.22 g/mol
LogP0.06
Rot. Bonds1

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

(2R,8aS)-2-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylic acid (PubChem CID 154810488) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (2R,8aS)-2-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylic acid.

Molecular Properties

Compound Name(2R,8aS)-2-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylic acid
PubChem CID154810488
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(2R,8aS)-2-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylic acid
SMILESO=C(O)[C@@]12CCCCN1C[C@H](O)C2
InChIInChI=1S/C9H15NO3/c11-7-5-9(8(12)13)3-1-2-4-10(9)6-7/h7,11H,1-6H2,(H,12,13)/t7-,9+/m1/s1
InChIKeyJVDDKCWCIKURRJ-APPZFPTMSA-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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Frequently Asked Questions

What is the IUPAC name of (2R,8aS)-2-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylic acid?
The IUPAC name of (2R,8aS)-2-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylic acid (CID 154810488) is (2R,8aS)-2-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylic acid.
What is the SMILES notation for (2R,8aS)-2-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylic acid?
The canonical SMILES for (2R,8aS)-2-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylic acid is O=C(O)[C@@]12CCCCN1C[C@H](O)C2.
What is the InChIKey of (2R,8aS)-2-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylic acid?
The InChIKey is JVDDKCWCIKURRJ-APPZFPTMSA-N. The full InChI is InChI=1S/C9H15NO3/c11-7-5-9(8(12)13)3-1-2-4-10(9)6-7/h7,11H,1-6H2,(H,12,13)/t7-,9+/m1/s1.
What are the key properties of (2R,8aS)-2-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylic acid?
(2R,8aS)-2-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-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 (2R,8aS)-2-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylic acid is sourced from PubChem (CID 154810488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).