ethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)acetate

C13H23N3O3 — CID 60971011

IUPACethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)NC1CCN2CCCCC12
InChIInChI=1S/C13H23N3O3/c1-2-19-12(17)9-14-13(18)15-10-6-8-16-7-4-3-5-11(10)16/h10-11H,2-9H2,1H3,(H2,14,15,18)
InChIKeyKTZHZXAZPFIQJM-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.48
Rot. Bonds4

About ethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)acetate

ethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)acetate (PubChem CID 60971011) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)acetate
PubChem CID60971011
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Nameethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)NC1CCN2CCCCC12
InChIInChI=1S/C13H23N3O3/c1-2-19-12(17)9-14-13(18)15-10-6-8-16-7-4-3-5-11(10)16/h10-11H,2-9H2,1H3,(H2,14,15,18)
InChIKeyKTZHZXAZPFIQJM-UHFFFAOYSA-N
XLogP0.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

rac-(3aR,7aS)-1-(2-methoxyethyl)-octahydro-1H-imidazolidino[4,5-c]pyridin-2-one
CID 121553505
ethyl 2-[(8aS)-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-7-yl]acetate
CID 11715469
(1-Methyl-2-oxo-3-piperidin-4-ylimidazolidin-4-yl) acetate
CID 141633890
ethyl 2-[3-[4-[(7aR)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-1-yl]piperidin-1-yl]pyrrolidin-1-yl]acetate
CID 163796966
5-(2-Methoxyethyl)-1-methyl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
CID 170032308
Ethyl 2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]acetate
CID 43384958
Ethyl 2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]acetate
CID 43445547
Ethyl 2-[(1-ethylpiperidin-3-yl)carbamoylamino]acetate
CID 54959163
2-[1,2,3,5,6,7,8,8a-Octahydroindolizin-1-ylcarbamoyl(methyl)amino]acetic acid
CID 54967460
2-(1,2,3,5,6,7,8,8a-Octahydroindolizin-1-ylcarbamoylamino)propanoic acid
CID 54967462
(2S)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)propanoic acid
CID 54967508
Ethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-2-oxoacetate
CID 54967809

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)acetate?
The IUPAC name of ethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)acetate (CID 60971011) is ethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)acetate.
What is the SMILES notation for ethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)acetate?
The canonical SMILES for ethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)acetate is CCOC(=O)CNC(=O)NC1CCN2CCCCC12.
What is the InChIKey of ethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)acetate?
The InChIKey is KTZHZXAZPFIQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-2-19-12(17)9-14-13(18)15-10-6-8-16-7-4-3-5-11(10)16/h10-11H,2-9H2,1H3,(H2,14,15,18).
What are the key properties of ethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)acetate?
ethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)acetate has a molecular weight of 269.34 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)acetate is sourced from PubChem (CID 60971011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).