(3S)-1-tert-butyl-3-(2-hydrazinyl-2-oxoethyl)pyrrolidin-1-ium-1-carboxylate

C11H21N3O3 — CID 67354976

IUPAC(3S)-1-tert-butyl-3-(2-hydrazinyl-2-oxoethyl)pyrrolidin-1-ium-1-carboxylate
SMILESCC(C)(C)[N+]1(C(=O)[O-])CC[C@@H](CC(=O)NN)C1
InChIInChI=1S/C11H21N3O3/c1-11(2,3)14(10(16)17)5-4-8(7-14)6-9(15)13-12/h8H,4-7,12H2,1-3H3,(H-,13,15,16,17)/t8-,14?/m0/s1
InChIKeyKNDBHHQUUGPICA-BVVIDWAXSA-N
MW243.31 g/mol
LogP-0.66
Rot. Bonds2

About (3S)-1-tert-butyl-3-(2-hydrazinyl-2-oxoethyl)pyrrolidin-1-ium-1-carboxylate

(3S)-1-tert-butyl-3-(2-hydrazinyl-2-oxoethyl)pyrrolidin-1-ium-1-carboxylate (PubChem CID 67354976) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is (3S)-1-tert-butyl-3-(2-hydrazinyl-2-oxoethyl)pyrrolidin-1-ium-1-carboxylate.

Molecular Properties

Compound Name(3S)-1-tert-butyl-3-(2-hydrazinyl-2-oxoethyl)pyrrolidin-1-ium-1-carboxylate
PubChem CID67354976
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name(3S)-1-tert-butyl-3-(2-hydrazinyl-2-oxoethyl)pyrrolidin-1-ium-1-carboxylate
SMILESCC(C)(C)[N+]1(C(=O)[O-])CC[C@@H](CC(=O)NN)C1
InChIInChI=1S/C11H21N3O3/c1-11(2,3)14(10(16)17)5-4-8(7-14)6-9(15)13-12/h8H,4-7,12H2,1-3H3,(H-,13,15,16,17)/t8-,14?/m0/s1
InChIKeyKNDBHHQUUGPICA-BVVIDWAXSA-N
XLogP-0.66
TPSA95.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze (3S)-1-tert-butyl-3-(2-hydrazinyl-2-oxoethyl)pyrrolidin-1-ium-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-tert-butyl-3-(2-hydrazinyl-2-oxoethyl)pyrrolidin-1-ium-1-carboxylate?
The IUPAC name of (3S)-1-tert-butyl-3-(2-hydrazinyl-2-oxoethyl)pyrrolidin-1-ium-1-carboxylate (CID 67354976) is (3S)-1-tert-butyl-3-(2-hydrazinyl-2-oxoethyl)pyrrolidin-1-ium-1-carboxylate.
What is the SMILES notation for (3S)-1-tert-butyl-3-(2-hydrazinyl-2-oxoethyl)pyrrolidin-1-ium-1-carboxylate?
The canonical SMILES for (3S)-1-tert-butyl-3-(2-hydrazinyl-2-oxoethyl)pyrrolidin-1-ium-1-carboxylate is CC(C)(C)[N+]1(C(=O)[O-])CC[C@@H](CC(=O)NN)C1.
What is the InChIKey of (3S)-1-tert-butyl-3-(2-hydrazinyl-2-oxoethyl)pyrrolidin-1-ium-1-carboxylate?
The InChIKey is KNDBHHQUUGPICA-BVVIDWAXSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-11(2,3)14(10(16)17)5-4-8(7-14)6-9(15)13-12/h8H,4-7,12H2,1-3H3,(H-,13,15,16,17)/t8-,14?/m0/s1.
What are the key properties of (3S)-1-tert-butyl-3-(2-hydrazinyl-2-oxoethyl)pyrrolidin-1-ium-1-carboxylate?
(3S)-1-tert-butyl-3-(2-hydrazinyl-2-oxoethyl)pyrrolidin-1-ium-1-carboxylate has a molecular weight of 243.31 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-tert-butyl-3-(2-hydrazinyl-2-oxoethyl)pyrrolidin-1-ium-1-carboxylate is sourced from PubChem (CID 67354976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).