6-amino-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid

C9H14N2O3 — CID 21039875

IUPAC6-amino-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid
SMILESNC1CCC2CCC(C(=O)O)N2C1=O
InChIInChI=1S/C9H14N2O3/c10-6-3-1-5-2-4-7(9(13)14)11(5)8(6)12/h5-7H,1-4,10H2,(H,13,14)
InChIKeyOIFVJUITQPXDAC-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.45
Rot. Bonds1

About 6-amino-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid

6-amino-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid (PubChem CID 21039875) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 6-amino-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid
PubChem CID21039875
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name6-amino-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid
SMILESNC1CCC2CCC(C(=O)O)N2C1=O
InChIInChI=1S/C9H14N2O3/c10-6-3-1-5-2-4-7(9(13)14)11(5)8(6)12/h5-7H,1-4,10H2,(H,13,14)
InChIKeyOIFVJUITQPXDAC-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid?
The IUPAC name of 6-amino-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid (CID 21039875) is 6-amino-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid.
What is the SMILES notation for 6-amino-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid?
The canonical SMILES for 6-amino-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid is NC1CCC2CCC(C(=O)O)N2C1=O.
What is the InChIKey of 6-amino-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid?
The InChIKey is OIFVJUITQPXDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c10-6-3-1-5-2-4-7(9(13)14)11(5)8(6)12/h5-7H,1-4,10H2,(H,13,14).
What are the key properties of 6-amino-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid?
6-amino-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-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 6-amino-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid is sourced from PubChem (CID 21039875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).