3-amino-N-(5-oxopyrrolidin-3-yl)pentanamide

C9H17N3O2 — CID 106187621

IUPAC3-amino-N-(5-oxopyrrolidin-3-yl)pentanamide
SMILESCCC(N)CC(=O)NC1CNC(=O)C1
InChIInChI=1S/C9H17N3O2/c1-2-6(10)3-9(14)12-7-4-8(13)11-5-7/h6-7H,2-5,10H2,1H3,(H,11,13)(H,12,14)
InChIKeyOGWXVWKBEDOEBF-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.88
Rot. Bonds4

About 3-amino-N-(5-oxopyrrolidin-3-yl)pentanamide

3-amino-N-(5-oxopyrrolidin-3-yl)pentanamide (PubChem CID 106187621) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-amino-N-(5-oxopyrrolidin-3-yl)pentanamide.

Molecular Properties

Compound Name3-amino-N-(5-oxopyrrolidin-3-yl)pentanamide
PubChem CID106187621
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name3-amino-N-(5-oxopyrrolidin-3-yl)pentanamide
SMILESCCC(N)CC(=O)NC1CNC(=O)C1
InChIInChI=1S/C9H17N3O2/c1-2-6(10)3-9(14)12-7-4-8(13)11-5-7/h6-7H,2-5,10H2,1H3,(H,11,13)(H,12,14)
InChIKeyOGWXVWKBEDOEBF-UHFFFAOYSA-N
XLogP-0.88
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-oxopyrrolidin-3-yl)pentanamide?
The IUPAC name of 3-amino-N-(5-oxopyrrolidin-3-yl)pentanamide (CID 106187621) is 3-amino-N-(5-oxopyrrolidin-3-yl)pentanamide.
What is the SMILES notation for 3-amino-N-(5-oxopyrrolidin-3-yl)pentanamide?
The canonical SMILES for 3-amino-N-(5-oxopyrrolidin-3-yl)pentanamide is CCC(N)CC(=O)NC1CNC(=O)C1.
What is the InChIKey of 3-amino-N-(5-oxopyrrolidin-3-yl)pentanamide?
The InChIKey is OGWXVWKBEDOEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-2-6(10)3-9(14)12-7-4-8(13)11-5-7/h6-7H,2-5,10H2,1H3,(H,11,13)(H,12,14).
What are the key properties of 3-amino-N-(5-oxopyrrolidin-3-yl)pentanamide?
3-amino-N-(5-oxopyrrolidin-3-yl)pentanamide has a molecular weight of 199.25 g/mol, XLogP of -0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-oxopyrrolidin-3-yl)pentanamide is sourced from PubChem (CID 106187621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).