(6S,8aR)-6-amino-5-oxo-1,2,3,6,7,8-hexahydroindolizine-8a-carboxylic acid

C9H14N2O3 — CID 45089457

IUPAC(6S,8aR)-6-amino-5-oxo-1,2,3,6,7,8-hexahydroindolizine-8a-carboxylic acid
SMILESN[C@H]1CC[C@@]2(C(=O)O)CCCN2C1=O
InChIInChI=1S/C9H14N2O3/c10-6-2-4-9(8(13)14)3-1-5-11(9)7(6)12/h6H,1-5,10H2,(H,13,14)/t6-,9+/m0/s1
InChIKeyMDEYUQZRANNBGV-IMTBSYHQSA-N
MW198.22 g/mol
LogP-0.45
Rot. Bonds1

About (6S,8aR)-6-amino-5-oxo-1,2,3,6,7,8-hexahydroindolizine-8a-carboxylic acid

(6S,8aR)-6-amino-5-oxo-1,2,3,6,7,8-hexahydroindolizine-8a-carboxylic acid (PubChem CID 45089457) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is (6S,8aR)-6-amino-5-oxo-1,2,3,6,7,8-hexahydroindolizine-8a-carboxylic acid.

Molecular Properties

Compound Name(6S,8aR)-6-amino-5-oxo-1,2,3,6,7,8-hexahydroindolizine-8a-carboxylic acid
PubChem CID45089457
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name(6S,8aR)-6-amino-5-oxo-1,2,3,6,7,8-hexahydroindolizine-8a-carboxylic acid
SMILESN[C@H]1CC[C@@]2(C(=O)O)CCCN2C1=O
InChIInChI=1S/C9H14N2O3/c10-6-2-4-9(8(13)14)3-1-5-11(9)7(6)12/h6H,1-5,10H2,(H,13,14)/t6-,9+/m0/s1
InChIKeyMDEYUQZRANNBGV-IMTBSYHQSA-N
XLogP-0.45
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (6S,8aR)-6-amino-5-oxo-1,2,3,6,7,8-hexahydroindolizine-8a-carboxylic acid with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (6S,8aR)-6-amino-5-oxo-1,2,3,6,7,8-hexahydroindolizine-8a-carboxylic acid?
The IUPAC name of (6S,8aR)-6-amino-5-oxo-1,2,3,6,7,8-hexahydroindolizine-8a-carboxylic acid (CID 45089457) is (6S,8aR)-6-amino-5-oxo-1,2,3,6,7,8-hexahydroindolizine-8a-carboxylic acid.
What is the SMILES notation for (6S,8aR)-6-amino-5-oxo-1,2,3,6,7,8-hexahydroindolizine-8a-carboxylic acid?
The canonical SMILES for (6S,8aR)-6-amino-5-oxo-1,2,3,6,7,8-hexahydroindolizine-8a-carboxylic acid is N[C@H]1CC[C@@]2(C(=O)O)CCCN2C1=O.
What is the InChIKey of (6S,8aR)-6-amino-5-oxo-1,2,3,6,7,8-hexahydroindolizine-8a-carboxylic acid?
The InChIKey is MDEYUQZRANNBGV-IMTBSYHQSA-N. The full InChI is InChI=1S/C9H14N2O3/c10-6-2-4-9(8(13)14)3-1-5-11(9)7(6)12/h6H,1-5,10H2,(H,13,14)/t6-,9+/m0/s1.
What are the key properties of (6S,8aR)-6-amino-5-oxo-1,2,3,6,7,8-hexahydroindolizine-8a-carboxylic acid?
(6S,8aR)-6-amino-5-oxo-1,2,3,6,7,8-hexahydroindolizine-8a-carboxylic acid has a molecular weight of 198.22 g/mol, XLogP of -0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8aR)-6-amino-5-oxo-1,2,3,6,7,8-hexahydroindolizine-8a-carboxylic acid is sourced from PubChem (CID 45089457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).