(2S)-2-(2-oxopyrrolidin-1-yl)butanehydrazide

C8H15N3O2 — CID 11148119

IUPAC(2S)-2-(2-oxopyrrolidin-1-yl)butanehydrazide
SMILESCC[C@@H](C(=O)NN)N1CCCC1=O
InChIInChI=1S/C8H15N3O2/c1-2-6(8(13)10-9)11-5-3-4-7(11)12/h6H,2-5,9H2,1H3,(H,10,13)/t6-/m0/s1
InChIKeyWWOZAZGXZWIRJC-LURJTMIESA-N
MW185.23 g/mol
LogP-0.62
Rot. Bonds3

About (2S)-2-(2-oxopyrrolidin-1-yl)butanehydrazide

(2S)-2-(2-oxopyrrolidin-1-yl)butanehydrazide (PubChem CID 11148119) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is (2S)-2-(2-oxopyrrolidin-1-yl)butanehydrazide.

Molecular Properties

Compound Name(2S)-2-(2-oxopyrrolidin-1-yl)butanehydrazide
PubChem CID11148119
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name(2S)-2-(2-oxopyrrolidin-1-yl)butanehydrazide
SMILESCC[C@@H](C(=O)NN)N1CCCC1=O
InChIInChI=1S/C8H15N3O2/c1-2-6(8(13)10-9)11-5-3-4-7(11)12/h6H,2-5,9H2,1H3,(H,10,13)/t6-/m0/s1
InChIKeyWWOZAZGXZWIRJC-LURJTMIESA-N
XLogP-0.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-oxopyrrolidin-1-yl)butanehydrazide?
The IUPAC name of (2S)-2-(2-oxopyrrolidin-1-yl)butanehydrazide (CID 11148119) is (2S)-2-(2-oxopyrrolidin-1-yl)butanehydrazide.
What is the SMILES notation for (2S)-2-(2-oxopyrrolidin-1-yl)butanehydrazide?
The canonical SMILES for (2S)-2-(2-oxopyrrolidin-1-yl)butanehydrazide is CC[C@@H](C(=O)NN)N1CCCC1=O.
What is the InChIKey of (2S)-2-(2-oxopyrrolidin-1-yl)butanehydrazide?
The InChIKey is WWOZAZGXZWIRJC-LURJTMIESA-N. The full InChI is InChI=1S/C8H15N3O2/c1-2-6(8(13)10-9)11-5-3-4-7(11)12/h6H,2-5,9H2,1H3,(H,10,13)/t6-/m0/s1.
What are the key properties of (2S)-2-(2-oxopyrrolidin-1-yl)butanehydrazide?
(2S)-2-(2-oxopyrrolidin-1-yl)butanehydrazide has a molecular weight of 185.23 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-oxopyrrolidin-1-yl)butanehydrazide is sourced from PubChem (CID 11148119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).