3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methoxypropanamide

C12H23N3O2 — CID 106113351

IUPAC3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methoxypropanamide
SMILESCOC(CN)C(=O)NC1CCN2CCCC2C1
InChIInChI=1S/C12H23N3O2/c1-17-11(8-13)12(16)14-9-4-6-15-5-2-3-10(15)7-9/h9-11H,2-8,13H2,1H3,(H,14,16)
InChIKeyITIATQCSQUQNFZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.30
Rot. Bonds4

About 3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methoxypropanamide

3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methoxypropanamide (PubChem CID 106113351) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methoxypropanamide
PubChem CID106113351
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methoxypropanamide
SMILESCOC(CN)C(=O)NC1CCN2CCCC2C1
InChIInChI=1S/C12H23N3O2/c1-17-11(8-13)12(16)14-9-4-6-15-5-2-3-10(15)7-9/h9-11H,2-8,13H2,1H3,(H,14,16)
InChIKeyITIATQCSQUQNFZ-UHFFFAOYSA-N
XLogP-0.30
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3,3-dimethylbutanamide;dihydrochloride
CID 119854344
3-amino-2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 106111386
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119854359
2-acetamido-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-sulfanylpropanamide
CID 107769746
(2S)-2-amino-N-[2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2-oxoethyl]-3-methylbutanamide
CID 82964536
2-(4-aminophenyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetamide;dihydrochloride
CID 119854320
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-sulfanylpropanamide
CID 107033181
3-amino-2-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide
CID 106114303
1-amino-3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-(2-methylpropyl)guanidine
CID 104887813
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119854358
(2R)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 103928209
5-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706847

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methoxypropanamide?
The IUPAC name of 3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methoxypropanamide (CID 106113351) is 3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methoxypropanamide is COC(CN)C(=O)NC1CCN2CCCC2C1.
What is the InChIKey of 3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methoxypropanamide?
The InChIKey is ITIATQCSQUQNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-17-11(8-13)12(16)14-9-4-6-15-5-2-3-10(15)7-9/h9-11H,2-8,13H2,1H3,(H,14,16).
What are the key properties of 3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methoxypropanamide?
3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methoxypropanamide has a molecular weight of 241.33 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methoxypropanamide is sourced from PubChem (CID 106113351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).