2-(3-amino-4-methylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide

C11H22N4O2 — CID 103576948

IUPAC2-(3-amino-4-methylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN1CC(C)C(N)C1
InChIInChI=1S/C11H22N4O2/c1-3-4-13-11(17)14-10(16)7-15-5-8(2)9(12)6-15/h8-9H,3-7,12H2,1-2H3,(H2,13,14,16,17)
InChIKeySLDPYURQUXJIQZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.50
Rot. Bonds4

About 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide

2-(3-amino-4-methylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide (PubChem CID 103576948) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-4-methylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide
PubChem CID103576948
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name2-(3-amino-4-methylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN1CC(C)C(N)C1
InChIInChI=1S/C11H22N4O2/c1-3-4-13-11(17)14-10(16)7-15-5-8(2)9(12)6-15/h8-9H,3-7,12H2,1-2H3,(H2,13,14,16,17)
InChIKeySLDPYURQUXJIQZ-UHFFFAOYSA-N
XLogP-0.50
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylpiperidin-1-yl)-N-(propylcarbamoyl)acetamide
CID 51170715
2-(4-amino-3-methylpiperidin-1-yl)-N-propylacetamide;hydrochloride
CID 119925069
2-[(3R)-3-methylpiperidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 8903288
2-(3-aminoazetidin-1-yl)-N-(ethylcarbamoyl)acetamide
CID 65249628
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 62064117
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 112628199
butyl 2-(3-amino-4-methylpyrrolidin-1-yl)acetate
CID 103576801
2-(4-formylpiperidin-1-yl)-N-(propylcarbamoyl)acetamide
CID 62654269
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(ethylcarbamoyl)acetamide
CID 25376066
2-(4-amino-3-ethylpiperidin-1-yl)-N-(3-methylbutylcarbamoyl)acetamide
CID 81451805
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-methylbutylcarbamoyl)acetamide
CID 106672699
2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylacetamide
CID 103576964

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide (CID 103576948) is 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CN1CC(C)C(N)C1.
What is the InChIKey of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide?
The InChIKey is SLDPYURQUXJIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-3-4-13-11(17)14-10(16)7-15-5-8(2)9(12)6-15/h8-9H,3-7,12H2,1-2H3,(H2,13,14,16,17).
What are the key properties of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide?
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide has a molecular weight of 242.32 g/mol, XLogP of -0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 103576948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).