3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-2-hydroxypropanamide

C11H21N3O2 — CID 106171487

IUPAC3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-2-hydroxypropanamide
SMILESNC(=O)C(O)CNC1CCN2CCCCC12
InChIInChI=1S/C11H21N3O2/c12-11(16)10(15)7-13-8-4-6-14-5-2-1-3-9(8)14/h8-10,13,15H,1-7H2,(H2,12,16)
InChIKeyNMGFWPZAYNAOQW-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.95
Rot. Bonds4

About 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-2-hydroxypropanamide

3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-2-hydroxypropanamide (PubChem CID 106171487) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-2-hydroxypropanamide
PubChem CID106171487
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-2-hydroxypropanamide
SMILESNC(=O)C(O)CNC1CCN2CCCCC12
InChIInChI=1S/C11H21N3O2/c12-11(16)10(15)7-13-8-4-6-14-5-2-1-3-9(8)14/h8-10,13,15H,1-7H2,(H2,12,16)
InChIKeyNMGFWPZAYNAOQW-UHFFFAOYSA-N
XLogP-0.95
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369847
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-4-methylpentan-2-ol
CID 107151590
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)oxyacetamide
CID 112672836
2-(1-aminocyclopentyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 64684823
4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexane-1-carboxamide
CID 82853124
3-[2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)ethyl]-1,1-dimethylurea
CID 83117106
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 60770068
3,3,3-trifluoro-2-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]-N'-hydroxypropanimidamide
CID 103369819
[2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclohexyl]methanol
CID 114178522
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromoacetamide
CID 63680826
methyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)butanoate
CID 113292420
4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N'-hydroxybutanimidamide
CID 77031464

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-2-hydroxypropanamide?
The IUPAC name of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-2-hydroxypropanamide (CID 106171487) is 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-2-hydroxypropanamide.
What is the SMILES notation for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-2-hydroxypropanamide?
The canonical SMILES for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-2-hydroxypropanamide is NC(=O)C(O)CNC1CCN2CCCCC12.
What is the InChIKey of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-2-hydroxypropanamide?
The InChIKey is NMGFWPZAYNAOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c12-11(16)10(15)7-13-8-4-6-14-5-2-1-3-9(8)14/h8-10,13,15H,1-7H2,(H2,12,16).
What are the key properties of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-2-hydroxypropanamide?
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-2-hydroxypropanamide has a molecular weight of 227.31 g/mol, XLogP of -0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-2-hydroxypropanamide is sourced from PubChem (CID 106171487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).