2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide

C11H22N4O2 — CID 62064117

IUPAC2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN1CCC(CN)C1
InChIInChI=1S/C11H22N4O2/c1-2-4-13-11(17)14-10(16)8-15-5-3-9(6-12)7-15/h9H,2-8,12H2,1H3,(H2,13,14,16,17)
InChIKeyRLOXBIWKSWWFOM-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.50
Rot. Bonds5

About 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide

2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide (PubChem CID 62064117) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide
PubChem CID62064117
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN1CCC(CN)C1
InChIInChI=1S/C11H22N4O2/c1-2-4-13-11(17)14-10(16)8-15-5-3-9(6-12)7-15/h9H,2-8,12H2,1H3,(H2,13,14,16,17)
InChIKeyRLOXBIWKSWWFOM-UHFFFAOYSA-N
XLogP-0.50
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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-(aminomethyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 62064127
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 112628199
2-[(3R)-3-methylpiperidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 8903288
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(butylcarbamoyl)acetamide
CID 112630196
2-(4-formylpiperidin-1-yl)-N-(propylcarbamoyl)acetamide
CID 62654269
N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 80546664
2-[3-(aminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119915605
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(butylcarbamoyl)acetamide
CID 11932062
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 115648180
N'-acetyl-2-[3-(aminomethyl)pyrrolidin-1-yl]acetohydrazide
CID 62062013
2-(3,5-dimethylpiperidin-1-yl)-N-(propylcarbamoyl)acetamide
CID 51170715
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide
CID 103576948

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide (CID 62064117) is 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CN1CCC(CN)C1.
What is the InChIKey of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide?
The InChIKey is RLOXBIWKSWWFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-2-4-13-11(17)14-10(16)8-15-5-3-9(6-12)7-15/h9H,2-8,12H2,1H3,(H2,13,14,16,17).
What are the key properties of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide?
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide has a molecular weight of 242.32 g/mol, XLogP of -0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 62064117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).