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

C11H22N4O2 — CID 81492867

IUPAC2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)CN1CCCC1CN
InChIInChI=1S/C11H22N4O2/c1-8(2)13-11(17)14-10(16)7-15-5-3-4-9(15)6-12/h8-9H,3-7,12H2,1-2H3,(H2,13,14,16,17)
InChIKeyCTJNWZPMDCXZOS-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.36
Rot. Bonds4

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

2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 81492867) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID81492867
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)CN1CCCC1CN
InChIInChI=1S/C11H22N4O2/c1-8(2)13-11(17)14-10(16)7-15-5-3-4-9(15)6-12/h8-9H,3-7,12H2,1-2H3,(H2,13,14,16,17)
InChIKeyCTJNWZPMDCXZOS-UHFFFAOYSA-N
XLogP-0.36
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 ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 63759548
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119926962
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 103442104
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide
CID 81492966
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopentylacetamide
CID 63760691
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyanomethyl)acetamide
CID 115312682
2-[2-(aminomethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride
CID 119916141
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 62015118
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119926969
3-[2-(aminomethyl)azepan-1-yl]-N-propan-2-ylpropanamide
CID 116640520
2-(4-methylpiperidin-1-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 8543273
2-[2-(aminomethyl)pyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide;hydrochloride
CID 119926999

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide (CID 81492867) is 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide is CC(C)NC(=O)NC(=O)CN1CCCC1CN.
What is the InChIKey of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide?
The InChIKey is CTJNWZPMDCXZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-8(2)13-11(17)14-10(16)7-15-5-3-4-9(15)6-12/h8-9H,3-7,12H2,1-2H3,(H2,13,14,16,17).
What are the key properties of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide?
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 242.32 g/mol, XLogP of -0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 81492867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).