N-(3-aminopropyl)-5-oxopyrrolidine-3-carboxamide

C8H15N3O2 — CID 81469853

IUPACN-(3-aminopropyl)-5-oxopyrrolidine-3-carboxamide
SMILESNCCCNC(=O)C1CNC(=O)C1
InChIInChI=1S/C8H15N3O2/c9-2-1-3-10-8(13)6-4-7(12)11-5-6/h6H,1-5,9H2,(H,10,13)(H,11,12)
InChIKeyZISDNZKMVFUWRC-UHFFFAOYSA-N
MW185.23 g/mol
LogP-1.41
Rot. Bonds4

About N-(3-aminopropyl)-5-oxopyrrolidine-3-carboxamide

N-(3-aminopropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 81469853) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID81469853
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC NameN-(3-aminopropyl)-5-oxopyrrolidine-3-carboxamide
SMILESNCCCNC(=O)C1CNC(=O)C1
InChIInChI=1S/C8H15N3O2/c9-2-1-3-10-8(13)6-4-7(12)11-5-6/h6H,1-5,9H2,(H,10,13)(H,11,12)
InChIKeyZISDNZKMVFUWRC-UHFFFAOYSA-N
XLogP-1.41
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
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 N-(3-aminopropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-5-oxopyrrolidine-3-carboxamide (CID 81469853) is N-(3-aminopropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-5-oxopyrrolidine-3-carboxamide is NCCCNC(=O)C1CNC(=O)C1.
What is the InChIKey of N-(3-aminopropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZISDNZKMVFUWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c9-2-1-3-10-8(13)6-4-7(12)11-5-6/h6H,1-5,9H2,(H,10,13)(H,11,12).
What are the key properties of N-(3-aminopropyl)-5-oxopyrrolidine-3-carboxamide?
N-(3-aminopropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 185.23 g/mol, XLogP of -1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 81469853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).