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

C20H31N5O7 — CID 158141875

IUPAC6-amino-8-carbamoyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid;6-amino-8-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid
SMILESCC1CC(N)C(=O)N2C(C(=O)O)CCC12.NC(=O)C1CC(N)C(=O)N2C(C(=O)O)CCC12
InChIInChI=1S/C10H15N3O4.C10H16N2O3/c11-5-3-4(8(12)14)6-1-2-7(10(16)17)13(6)9(5)15;1-5-4-6(11)9(13)12-7(5)2-3-8(12)10(14)15/h4-7H,1-3,11H2,(H2,12,14)(H,16,17);5-8H,2-4,11H2,1H3,(H,14,15)
InChIKeyFUAQYLFTASDOLJ-UHFFFAOYSA-N
MW453.50 g/mol
LogP-1.94
Rot. Bonds3

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

6-amino-8-carbamoyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid;6-amino-8-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid (PubChem CID 158141875) has the molecular formula C20H31N5O7 and a molecular weight of 453.50 g/mol. Its IUPAC name is 6-amino-8-carbamoyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid;6-amino-8-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-8-carbamoyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid;6-amino-8-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid
PubChem CID158141875
Molecular FormulaC20H31N5O7
Molecular Weight453.50 g/mol
Exact Mass453.22
IUPAC Name6-amino-8-carbamoyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid;6-amino-8-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid
SMILESCC1CC(N)C(=O)N2C(C(=O)O)CCC12.NC(=O)C1CC(N)C(=O)N2C(C(=O)O)CCC12
InChIInChI=1S/C10H15N3O4.C10H16N2O3/c11-5-3-4(8(12)14)6-1-2-7(10(16)17)13(6)9(5)15;1-5-4-6(11)9(13)12-7(5)2-3-8(12)10(14)15/h4-7H,1-3,11H2,(H2,12,14)(H,16,17);5-8H,2-4,11H2,1H3,(H,14,15)
InChIKeyFUAQYLFTASDOLJ-UHFFFAOYSA-N
XLogP-1.94
TPSA210.35 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 5-1.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 6-amino-8-carbamoyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid;6-amino-8-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-amino-8-carbamoyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid;6-amino-8-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid?
The IUPAC name of 6-amino-8-carbamoyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid;6-amino-8-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid (CID 158141875) is 6-amino-8-carbamoyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid;6-amino-8-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid.
What is the SMILES notation for 6-amino-8-carbamoyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid;6-amino-8-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid?
The canonical SMILES for 6-amino-8-carbamoyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid;6-amino-8-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid is CC1CC(N)C(=O)N2C(C(=O)O)CCC12.NC(=O)C1CC(N)C(=O)N2C(C(=O)O)CCC12.
What is the InChIKey of 6-amino-8-carbamoyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid;6-amino-8-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid?
The InChIKey is FUAQYLFTASDOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4.C10H16N2O3/c11-5-3-4(8(12)14)6-1-2-7(10(16)17)13(6)9(5)15;1-5-4-6(11)9(13)12-7(5)2-3-8(12)10(14)15/h4-7H,1-3,11H2,(H2,12,14)(H,16,17);5-8H,2-4,11H2,1H3,(H,14,15).
What are the key properties of 6-amino-8-carbamoyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid;6-amino-8-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid?
6-amino-8-carbamoyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid;6-amino-8-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid has a molecular weight of 453.50 g/mol, XLogP of -1.94, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8-carbamoyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid;6-amino-8-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid is sourced from PubChem (CID 158141875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).