3-[2-[(3-methyloxetan-3-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide

C15H19N3O4 — CID 153293061

IUPAC3-[2-[(3-methyloxetan-3-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
SMILESCC1(NC(=O)C(=O)c2cc(C(N)=O)c3n2CCCC3)COC1
InChIInChI=1S/C15H19N3O4/c1-15(7-22-8-15)17-14(21)12(19)11-6-9(13(16)20)10-4-2-3-5-18(10)11/h6H,2-5,7-8H2,1H3,(H2,16,20)(H,17,21)
InChIKeyFRCBDODUSNOIGE-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.01
Rot. Bonds4

About 3-[2-[(3-methyloxetan-3-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide

3-[2-[(3-methyloxetan-3-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide (PubChem CID 153293061) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-[2-[(3-methyloxetan-3-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide.

Molecular Properties

Compound Name3-[2-[(3-methyloxetan-3-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
PubChem CID153293061
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name3-[2-[(3-methyloxetan-3-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
SMILESCC1(NC(=O)C(=O)c2cc(C(N)=O)c3n2CCCC3)COC1
InChIInChI=1S/C15H19N3O4/c1-15(7-22-8-15)17-14(21)12(19)11-6-9(13(16)20)10-4-2-3-5-18(10)11/h6H,2-5,7-8H2,1H3,(H2,16,20)(H,17,21)
InChIKeyFRCBDODUSNOIGE-UHFFFAOYSA-N
XLogP0.01
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-methyloxetan-3-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The IUPAC name of 3-[2-[(3-methyloxetan-3-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide (CID 153293061) is 3-[2-[(3-methyloxetan-3-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide.
What is the SMILES notation for 3-[2-[(3-methyloxetan-3-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The canonical SMILES for 3-[2-[(3-methyloxetan-3-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide is CC1(NC(=O)C(=O)c2cc(C(N)=O)c3n2CCCC3)COC1.
What is the InChIKey of 3-[2-[(3-methyloxetan-3-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The InChIKey is FRCBDODUSNOIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-15(7-22-8-15)17-14(21)12(19)11-6-9(13(16)20)10-4-2-3-5-18(10)11/h6H,2-5,7-8H2,1H3,(H2,16,20)(H,17,21).
What are the key properties of 3-[2-[(3-methyloxetan-3-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?
3-[2-[(3-methyloxetan-3-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide has a molecular weight of 305.33 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-methyloxetan-3-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide is sourced from PubChem (CID 153293061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).