(1R)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-1-carboxylic acid

C8H11NO4 — CID 155046971

IUPAC(1R)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCN2C(=O)C(O)CC12
InChIInChI=1S/C8H11NO4/c10-6-3-5-4(8(12)13)1-2-9(5)7(6)11/h4-6,10H,1-3H2,(H,12,13)/t4-,5?,6?/m1/s1
InChIKeyGGPAHRITOMNBBB-IISSFJTQSA-N
MW185.18 g/mol
LogP-0.95
Rot. Bonds1

About (1R)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-1-carboxylic acid

(1R)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-1-carboxylic acid (PubChem CID 155046971) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is (1R)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-1-carboxylic acid
PubChem CID155046971
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name(1R)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCN2C(=O)C(O)CC12
InChIInChI=1S/C8H11NO4/c10-6-3-5-4(8(12)13)1-2-9(5)7(6)11/h4-6,10H,1-3H2,(H,12,13)/t4-,5?,6?/m1/s1
InChIKeyGGPAHRITOMNBBB-IISSFJTQSA-N
XLogP-0.95
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-1-carboxylic acid?
The IUPAC name of (1R)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-1-carboxylic acid (CID 155046971) is (1R)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-1-carboxylic acid.
What is the SMILES notation for (1R)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-1-carboxylic acid?
The canonical SMILES for (1R)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-1-carboxylic acid is O=C(O)[C@@H]1CCN2C(=O)C(O)CC12.
What is the InChIKey of (1R)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-1-carboxylic acid?
The InChIKey is GGPAHRITOMNBBB-IISSFJTQSA-N. The full InChI is InChI=1S/C8H11NO4/c10-6-3-5-4(8(12)13)1-2-9(5)7(6)11/h4-6,10H,1-3H2,(H,12,13)/t4-,5?,6?/m1/s1.
What are the key properties of (1R)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-1-carboxylic acid?
(1R)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-1-carboxylic acid has a molecular weight of 185.18 g/mol, XLogP of -0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-1-carboxylic acid is sourced from PubChem (CID 155046971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).