6-[(2-aminoacetyl)amino]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxamide;but-1-ene;(E)-but-2-ene;propane

C22H42N4O3 — CID 143082813

IUPAC6-[(2-aminoacetyl)amino]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxamide;but-1-ene;(E)-but-2-ene;propane
SMILESC/C=C/C.C=CCC.CCC.NCC(=O)NC1CCC2CCC(C(N)=O)N2C1=O
InChIInChI=1S/C11H18N4O3.2C4H8.C3H8/c12-5-9(16)14-7-3-1-6-2-4-8(10(13)17)15(6)11(7)18;2*1-3-4-2;1-3-2/h6-8H,1-5,12H2,(H2,13,17)(H,14,16);3-4H,1-2H3;3H,1,4H2,2H3;3H2,1-2H3/b;4-3+;;
InChIKeyQNLRYDBPYJYXKD-NXZCPFRHSA-N
MW410.60 g/mol
LogP2.65
Rot. Bonds4

About 6-[(2-aminoacetyl)amino]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxamide;but-1-ene;(E)-but-2-ene;propane

6-[(2-aminoacetyl)amino]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxamide;but-1-ene;(E)-but-2-ene;propane (PubChem CID 143082813) has the molecular formula C22H42N4O3 and a molecular weight of 410.60 g/mol. Its IUPAC name is 6-[(2-aminoacetyl)amino]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxamide;but-1-ene;(E)-but-2-ene;propane.

Molecular Properties

Compound Name6-[(2-aminoacetyl)amino]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxamide;but-1-ene;(E)-but-2-ene;propane
PubChem CID143082813
Molecular FormulaC22H42N4O3
Molecular Weight410.60 g/mol
Exact Mass410.33
IUPAC Name6-[(2-aminoacetyl)amino]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxamide;but-1-ene;(E)-but-2-ene;propane
SMILESC/C=C/C.C=CCC.CCC.NCC(=O)NC1CCC2CCC(C(N)=O)N2C1=O
InChIInChI=1S/C11H18N4O3.2C4H8.C3H8/c12-5-9(16)14-7-3-1-6-2-4-8(10(13)17)15(6)11(7)18;2*1-3-4-2;1-3-2/h6-8H,1-5,12H2,(H2,13,17)(H,14,16);3-4H,1-2H3;3H,1,4H2,2H3;3H2,1-2H3/b;4-3+;;
InChIKeyQNLRYDBPYJYXKD-NXZCPFRHSA-N
XLogP2.65
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.60
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminoacetyl)amino]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxamide;but-1-ene;(E)-but-2-ene;propane?
The IUPAC name of 6-[(2-aminoacetyl)amino]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxamide;but-1-ene;(E)-but-2-ene;propane (CID 143082813) is 6-[(2-aminoacetyl)amino]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxamide;but-1-ene;(E)-but-2-ene;propane.
What is the SMILES notation for 6-[(2-aminoacetyl)amino]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxamide;but-1-ene;(E)-but-2-ene;propane?
The canonical SMILES for 6-[(2-aminoacetyl)amino]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxamide;but-1-ene;(E)-but-2-ene;propane is C/C=C/C.C=CCC.CCC.NCC(=O)NC1CCC2CCC(C(N)=O)N2C1=O.
What is the InChIKey of 6-[(2-aminoacetyl)amino]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxamide;but-1-ene;(E)-but-2-ene;propane?
The InChIKey is QNLRYDBPYJYXKD-NXZCPFRHSA-N. The full InChI is InChI=1S/C11H18N4O3.2C4H8.C3H8/c12-5-9(16)14-7-3-1-6-2-4-8(10(13)17)15(6)11(7)18;2*1-3-4-2;1-3-2/h6-8H,1-5,12H2,(H2,13,17)(H,14,16);3-4H,1-2H3;3H,1,4H2,2H3;3H2,1-2H3/b;4-3+;;.
What are the key properties of 6-[(2-aminoacetyl)amino]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxamide;but-1-ene;(E)-but-2-ene;propane?
6-[(2-aminoacetyl)amino]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxamide;but-1-ene;(E)-but-2-ene;propane has a molecular weight of 410.60 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminoacetyl)amino]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxamide;but-1-ene;(E)-but-2-ene;propane is sourced from PubChem (CID 143082813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).