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

C12H24N4O2 — CID 62064127

IUPAC2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)CN1CCC(CN)C1
InChIInChI=1S/C12H24N4O2/c1-9(2)6-14-12(18)15-11(17)8-16-4-3-10(5-13)7-16/h9-10H,3-8,13H2,1-2H3,(H2,14,15,17,18)
InChIKeyOBBBUQQOWMAYRS-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.25
Rot. Bonds5

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

2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide (PubChem CID 62064127) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
PubChem CID62064127
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)CN1CCC(CN)C1
InChIInChI=1S/C12H24N4O2/c1-9(2)6-14-12(18)15-11(17)8-16-4-3-10(5-13)7-16/h9-10H,3-8,13H2,1-2H3,(H2,14,15,17,18)
InChIKeyOBBBUQQOWMAYRS-UHFFFAOYSA-N
XLogP-0.25
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 62064117
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride
CID 119915902
2-(3-methylpiperidin-1-yl)-N-(2-methylpropylcarbamoyl)acetamide
CID 51170637
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride
CID 119927408
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 55030660
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 115648180
2-[3-(aminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119915605
N'-acetyl-2-[3-(aminomethyl)pyrrolidin-1-yl]acetohydrazide
CID 62062013
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride
CID 119918090
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 78930704
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 63267514
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(butylcarbamoyl)acetamide
CID 112630196

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide (CID 62064127) is 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide is CC(C)CNC(=O)NC(=O)CN1CCC(CN)C1.
What is the InChIKey of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide?
The InChIKey is OBBBUQQOWMAYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-9(2)6-14-12(18)15-11(17)8-16-4-3-10(5-13)7-16/h9-10H,3-8,13H2,1-2H3,(H2,14,15,17,18).
What are the key properties of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide?
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide has a molecular weight of 256.35 g/mol, XLogP of -0.25, 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-(2-methylpropylcarbamoyl)acetamide is sourced from PubChem (CID 62064127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).