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

C11H20N4O2 — CID 81492966

IUPAC2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide
SMILESNCC1CCCN1CC(=O)NC(=O)NC1CC1
InChIInChI=1S/C11H20N4O2/c12-6-9-2-1-5-15(9)7-10(16)14-11(17)13-8-3-4-8/h8-9H,1-7,12H2,(H2,13,14,16,17)
InChIKeySOXNYFRTPKMMES-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.60
Rot. Bonds4

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

2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide (PubChem CID 81492966) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide
PubChem CID81492966
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide
SMILESNCC1CCCN1CC(=O)NC(=O)NC1CC1
InChIInChI=1S/C11H20N4O2/c12-6-9-2-1-5-15(9)7-10(16)14-11(17)13-8-3-4-8/h8-9H,1-7,12H2,(H2,13,14,16,17)
InChIKeySOXNYFRTPKMMES-UHFFFAOYSA-N
XLogP-0.60
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopentylacetamide
CID 63760691
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119926962
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 81492867
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119926969
2-[2-(aminomethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119916027
2-(2-cyclopentylpyrrolidin-1-yl)-N-(cyclopropylcarbamoyl)acetamide
CID 47314665
1-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 42884475
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 63759548
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride
CID 119911588
2-[2-(aminomethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride
CID 119916141
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azetidin-1-yl)ethanone
CID 82505741
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyanomethyl)acetamide
CID 115312682

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide (CID 81492966) is 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide is NCC1CCCN1CC(=O)NC(=O)NC1CC1.
What is the InChIKey of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide?
The InChIKey is SOXNYFRTPKMMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c12-6-9-2-1-5-15(9)7-10(16)14-11(17)13-8-3-4-8/h8-9H,1-7,12H2,(H2,13,14,16,17).
What are the key properties of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide?
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide has a molecular weight of 240.31 g/mol, XLogP of -0.60, 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-(cyclopropylcarbamoyl)acetamide is sourced from PubChem (CID 81492966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).