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

C9H18ClN3O2 — CID 3022035

IUPAC3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanamide;hydrochloride
SMILESCl.NC(=O)CCNCCN1CCCC1=O
InChIInChI=1S/C9H17N3O2.ClH/c10-8(13)3-4-11-5-7-12-6-1-2-9(12)14;/h11H,1-7H2,(H2,10,13);1H
InChIKeyBOJDZPXTRSRAAF-UHFFFAOYSA-N
MW235.71 g/mol
LogP-0.50
Rot. Bonds6

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

3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanamide;hydrochloride (PubChem CID 3022035) has the molecular formula C9H18ClN3O2 and a molecular weight of 235.71 g/mol. Its IUPAC name is 3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanamide;hydrochloride.

Molecular Properties

Compound Name3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanamide;hydrochloride
PubChem CID3022035
Molecular FormulaC9H18ClN3O2
Molecular Weight235.71 g/mol
Exact Mass235.11
IUPAC Name3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanamide;hydrochloride
SMILESCl.NC(=O)CCNCCN1CCCC1=O
InChIInChI=1S/C9H17N3O2.ClH/c10-8(13)3-4-11-5-7-12-6-1-2-9(12)14;/h11H,1-7H2,(H2,10,13);1H
InChIKeyBOJDZPXTRSRAAF-UHFFFAOYSA-N
XLogP-0.50
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 5-0.50
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;hydrochloride?
The IUPAC name of 3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanamide;hydrochloride (CID 3022035) is 3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanamide;hydrochloride.
What is the SMILES notation for 3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanamide;hydrochloride?
The canonical SMILES for 3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanamide;hydrochloride is Cl.NC(=O)CCNCCN1CCCC1=O.
What is the InChIKey of 3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanamide;hydrochloride?
The InChIKey is BOJDZPXTRSRAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2.ClH/c10-8(13)3-4-11-5-7-12-6-1-2-9(12)14;/h11H,1-7H2,(H2,10,13);1H.
What are the key properties of 3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanamide;hydrochloride?
3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanamide;hydrochloride has a molecular weight of 235.71 g/mol, XLogP of -0.50, 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;hydrochloride is sourced from PubChem (CID 3022035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).