methyl 6-amino-5-oxo-7-propanoyl-2,3-dihydro-1H-indolizine-3-carboxylate

C13H16N2O4 — CID 102575465

IUPACmethyl 6-amino-5-oxo-7-propanoyl-2,3-dihydro-1H-indolizine-3-carboxylate
SMILESCCC(=O)c1cc2n(c(=O)c1N)C(C(=O)OC)CC2
InChIInChI=1S/C13H16N2O4/c1-3-10(16)8-6-7-4-5-9(13(18)19-2)15(7)12(17)11(8)14/h6,9H,3-5,14H2,1-2H3
InChIKeyITINCUXEKPTMDM-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.68
Rot. Bonds3

About methyl 6-amino-5-oxo-7-propanoyl-2,3-dihydro-1H-indolizine-3-carboxylate

methyl 6-amino-5-oxo-7-propanoyl-2,3-dihydro-1H-indolizine-3-carboxylate (PubChem CID 102575465) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 6-amino-5-oxo-7-propanoyl-2,3-dihydro-1H-indolizine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-oxo-7-propanoyl-2,3-dihydro-1H-indolizine-3-carboxylate
PubChem CID102575465
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namemethyl 6-amino-5-oxo-7-propanoyl-2,3-dihydro-1H-indolizine-3-carboxylate
SMILESCCC(=O)c1cc2n(c(=O)c1N)C(C(=O)OC)CC2
InChIInChI=1S/C13H16N2O4/c1-3-10(16)8-6-7-4-5-9(13(18)19-2)15(7)12(17)11(8)14/h6,9H,3-5,14H2,1-2H3
InChIKeyITINCUXEKPTMDM-UHFFFAOYSA-N
XLogP0.68
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5-oxo-7-propanoyl-2,3-dihydro-1H-indolizine-3-carboxylate?
The IUPAC name of methyl 6-amino-5-oxo-7-propanoyl-2,3-dihydro-1H-indolizine-3-carboxylate (CID 102575465) is methyl 6-amino-5-oxo-7-propanoyl-2,3-dihydro-1H-indolizine-3-carboxylate.
What is the SMILES notation for methyl 6-amino-5-oxo-7-propanoyl-2,3-dihydro-1H-indolizine-3-carboxylate?
The canonical SMILES for methyl 6-amino-5-oxo-7-propanoyl-2,3-dihydro-1H-indolizine-3-carboxylate is CCC(=O)c1cc2n(c(=O)c1N)C(C(=O)OC)CC2.
What is the InChIKey of methyl 6-amino-5-oxo-7-propanoyl-2,3-dihydro-1H-indolizine-3-carboxylate?
The InChIKey is ITINCUXEKPTMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-3-10(16)8-6-7-4-5-9(13(18)19-2)15(7)12(17)11(8)14/h6,9H,3-5,14H2,1-2H3.
What are the key properties of methyl 6-amino-5-oxo-7-propanoyl-2,3-dihydro-1H-indolizine-3-carboxylate?
methyl 6-amino-5-oxo-7-propanoyl-2,3-dihydro-1H-indolizine-3-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-5-oxo-7-propanoyl-2,3-dihydro-1H-indolizine-3-carboxylate is sourced from PubChem (CID 102575465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).