methyl (6S,8R)-6-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate

C9H13NO4 — CID 101132370

About methyl (6S,8R)-6-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate

methyl (6S,8R)-6-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate (PubChem CID 101132370) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is methyl (6S,8R)-6-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate.

Molecular Properties

• Compound Name: methyl (6S,8R)-6-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
• PubChem CID: 101132370
• Molecular Formula: C9H13NO4
• Molecular Weight: 199.21 g/mol
• Exact Mass: 199.08
• IUPAC Name: methyl (6S,8R)-6-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
• SMILES: COC(=O)[C@]12CCCN1C(=O)[C@@H](O)C2
• InChI: InChI=1S/C9H13NO4/c1-14-8(13)9-3-2-4-10(9)7(12)6(11)5-9/h6,11H,2-5H2,1H3/t6-,9+/m0/s1
• InChIKey: DDMAUKLUERFHNM-IMTBSYHQSA-N
• XLogP: -0.71
• TPSA: 66.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	199.21
LogP ≤ 5	-0.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of methyl (6S,8R)-6-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?

The IUPAC name of methyl (6S,8R)-6-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate (CID 101132370) is methyl (6S,8R)-6-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate.

What is the SMILES notation for methyl (6S,8R)-6-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?

The canonical SMILES for methyl (6S,8R)-6-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate is COC(=O)[C@]12CCCN1C(=O)[C@@H](O)C2.

What is the InChIKey of methyl (6S,8R)-6-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?

The InChIKey is DDMAUKLUERFHNM-IMTBSYHQSA-N. The full InChI is InChI=1S/C9H13NO4/c1-14-8(13)9-3-2-4-10(9)7(12)6(11)5-9/h6,11H,2-5H2,1H3/t6-,9+/m0/s1.

What are the key properties of methyl (6S,8R)-6-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?

methyl (6S,8R)-6-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate has a molecular weight of 199.21 g/mol, XLogP of -0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (6S,8R)-6-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate is sourced from PubChem (CID 101132370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).