2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(methylcarbamoyl)propanamide

C11H22N4O3 — CID 81217822

IUPAC2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N1CC(CN)OCC1C
InChIInChI=1S/C11H22N4O3/c1-7-6-18-9(4-12)5-15(7)8(2)10(16)14-11(17)13-3/h7-9H,4-6,12H2,1-3H3,(H2,13,14,16,17)
InChIKeyRAILTSRFGCXRBD-UHFFFAOYSA-N
MW258.32 g/mol
LogP-1.12
Rot. Bonds3

About 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(methylcarbamoyl)propanamide

2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(methylcarbamoyl)propanamide (PubChem CID 81217822) has the molecular formula C11H22N4O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(methylcarbamoyl)propanamide
PubChem CID81217822
Molecular FormulaC11H22N4O3
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC Name2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N1CC(CN)OCC1C
InChIInChI=1S/C11H22N4O3/c1-7-6-18-9(4-12)5-15(7)8(2)10(16)14-11(17)13-3/h7-9H,4-6,12H2,1-3H3,(H2,13,14,16,17)
InChIKeyRAILTSRFGCXRBD-UHFFFAOYSA-N
XLogP-1.12
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

CID 72023436
CID 72023436
CID 94066300
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CID 5097690
CID 5097690
CID 16260954
CID 16260954
CID 25637443
CID 25637443
CID 51242480
CID 51242480
CID 128537882
CID 128537882
CID 8430390
CID 8430390
CID 8430391
CID 8430391
CID 47151527
CID 47151527
CID 47151738
CID 47151738
CID 48632914
CID 48632914

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(methylcarbamoyl)propanamide (CID 81217822) is 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)N1CC(CN)OCC1C.
What is the InChIKey of 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(methylcarbamoyl)propanamide?
The InChIKey is RAILTSRFGCXRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3/c1-7-6-18-9(4-12)5-15(7)8(2)10(16)14-11(17)13-3/h7-9H,4-6,12H2,1-3H3,(H2,13,14,16,17).
What are the key properties of 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(methylcarbamoyl)propanamide?
2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(methylcarbamoyl)propanamide has a molecular weight of 258.32 g/mol, XLogP of -1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 81217822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).