2-[2-(aminomethyl)-5-oxopyrrolidin-1-yl]-N-carbamoylacetamide

C8H14N4O3 — CID 82508801

IUPAC2-[2-(aminomethyl)-5-oxopyrrolidin-1-yl]-N-carbamoylacetamide
SMILESNCC1CCC(=O)N1CC(=O)NC(N)=O
InChIInChI=1S/C8H14N4O3/c9-3-5-1-2-7(14)12(5)4-6(13)11-8(10)15/h5H,1-4,9H2,(H3,10,11,13,15)
InChIKeyJMKHWSGOANEAKJ-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.87
Rot. Bonds3

About 2-[2-(aminomethyl)-5-oxopyrrolidin-1-yl]-N-carbamoylacetamide

2-[2-(aminomethyl)-5-oxopyrrolidin-1-yl]-N-carbamoylacetamide (PubChem CID 82508801) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-oxopyrrolidin-1-yl]-N-carbamoylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-oxopyrrolidin-1-yl]-N-carbamoylacetamide
PubChem CID82508801
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name2-[2-(aminomethyl)-5-oxopyrrolidin-1-yl]-N-carbamoylacetamide
SMILESNCC1CCC(=O)N1CC(=O)NC(N)=O
InChIInChI=1S/C8H14N4O3/c9-3-5-1-2-7(14)12(5)4-6(13)11-8(10)15/h5H,1-4,9H2,(H3,10,11,13,15)
InChIKeyJMKHWSGOANEAKJ-UHFFFAOYSA-N
XLogP-1.87
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-5-(aminomethyl)-1-(2-hydroxyethyl)pyrrolidin-2-one
CID 96680847
(5S)-5-(aminomethyl)-1-ethylpyrrolidin-2-one
CID 15737590
5-(aminomethyl)-1-ethylpyrrolidin-2-one
CID 21312227
5-(aminomethyl)-1-(3-methylbut-2-enyl)pyrrolidin-2-one
CID 82503999
1-(2-amino-2-oxoethyl)-5-oxopyrrolidine-2-carboxamide
CID 3657675
5-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxylic acid
CID 62874671
[(2S)-2-(aminomethyl)-5-oxopyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174736066
N-carbamoyl-2-(4-cyanopiperidin-1-yl)acetamide
CID 48940889
2-[(2R)-2-acetyl-5-oxopyrrolidin-1-yl]acetic acid
CID 59945978
1-[3-(cyclopropylamino)-3-oxopropyl]-5-oxopyrrolidine-2-carboxylic acid
CID 62874003
2-[(2S)-2-amino-5-oxopyrrolidin-1-yl]acetic acid
CID 45082281
(2R)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 59309467

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-oxopyrrolidin-1-yl]-N-carbamoylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-5-oxopyrrolidin-1-yl]-N-carbamoylacetamide (CID 82508801) is 2-[2-(aminomethyl)-5-oxopyrrolidin-1-yl]-N-carbamoylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-5-oxopyrrolidin-1-yl]-N-carbamoylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-5-oxopyrrolidin-1-yl]-N-carbamoylacetamide is NCC1CCC(=O)N1CC(=O)NC(N)=O.
What is the InChIKey of 2-[2-(aminomethyl)-5-oxopyrrolidin-1-yl]-N-carbamoylacetamide?
The InChIKey is JMKHWSGOANEAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c9-3-5-1-2-7(14)12(5)4-6(13)11-8(10)15/h5H,1-4,9H2,(H3,10,11,13,15).
What are the key properties of 2-[2-(aminomethyl)-5-oxopyrrolidin-1-yl]-N-carbamoylacetamide?
2-[2-(aminomethyl)-5-oxopyrrolidin-1-yl]-N-carbamoylacetamide has a molecular weight of 214.22 g/mol, XLogP of -1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-5-oxopyrrolidin-1-yl]-N-carbamoylacetamide is sourced from PubChem (CID 82508801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).