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

C11H22N4O3 — CID 81493129

IUPAC2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CN1CCCC1CN
InChIInChI=1S/C11H22N4O3/c1-18-6-4-13-11(17)14-10(16)8-15-5-2-3-9(15)7-12/h9H,2-8,12H2,1H3,(H2,13,14,16,17)
InChIKeyHKKDCAWQNOOADS-UHFFFAOYSA-N
MW258.32 g/mol
LogP-1.12
Rot. Bonds6

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

2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide (PubChem CID 81493129) has the molecular formula C11H22N4O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide
PubChem CID81493129
Molecular FormulaC11H22N4O3
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC Name2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CN1CCCC1CN
InChIInChI=1S/C11H22N4O3/c1-18-6-4-13-11(17)14-10(16)8-15-5-2-3-9(15)7-12/h9H,2-8,12H2,1H3,(H2,13,14,16,17)
InChIKeyHKKDCAWQNOOADS-UHFFFAOYSA-N
XLogP-1.12
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide (CID 81493129) is 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide is COCCNC(=O)NC(=O)CN1CCCC1CN.
What is the InChIKey of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide?
The InChIKey is HKKDCAWQNOOADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3/c1-18-6-4-13-11(17)14-10(16)8-15-5-2-3-9(15)7-12/h9H,2-8,12H2,1H3,(H2,13,14,16,17).
What are the key properties of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide?
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide has a molecular weight of 258.32 g/mol, XLogP of -1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide is sourced from PubChem (CID 81493129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).