3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanamide

C9H17N3O2 — CID 3022036

IUPAC3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanamide
SMILESNC(=O)CCNCCN1CCCC1=O
InChIInChI=1S/C9H17N3O2/c10-8(13)3-4-11-5-7-12-6-1-2-9(12)14/h11H,1-7H2,(H2,10,13)
InChIKeyLITVMYSTNWLQSO-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.93
Rot. Bonds6

About 3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanamide

3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanamide (PubChem CID 3022036) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanamide.

Molecular Properties

Compound Name3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanamide
PubChem CID3022036
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanamide
SMILESNC(=O)CCNCCN1CCCC1=O
InChIInChI=1S/C9H17N3O2/c10-8(13)3-4-11-5-7-12-6-1-2-9(12)14/h11H,1-7H2,(H2,10,13)
InChIKeyLITVMYSTNWLQSO-UHFFFAOYSA-N
XLogP-0.93
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanamide?
The IUPAC name of 3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanamide (CID 3022036) is 3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanamide.
What is the SMILES notation for 3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanamide?
The canonical SMILES for 3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanamide is NC(=O)CCNCCN1CCCC1=O.
What is the InChIKey of 3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanamide?
The InChIKey is LITVMYSTNWLQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c10-8(13)3-4-11-5-7-12-6-1-2-9(12)14/h11H,1-7H2,(H2,10,13).
What are the key properties of 3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanamide?
3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanamide has a molecular weight of 199.25 g/mol, XLogP of -0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanamide is sourced from PubChem (CID 3022036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).