(4-azido-2-methylbutan-2-yl) (2S)-pyrrolidine-2-carboxylate

C10H18N4O2 — CID 71295247

IUPAC(4-azido-2-methylbutan-2-yl) (2S)-pyrrolidine-2-carboxylate
SMILESCC(C)(CCN=[N+]=[N-])OC(=O)[C@@H]1CCCN1
InChIInChI=1S/C10H18N4O2/c1-10(2,5-7-13-14-11)16-9(15)8-4-3-6-12-8/h8,12H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyOZSCKPYBTSEORU-QMMMGPOBSA-N
MW226.28 g/mol
LogP1.76
Rot. Bonds5

About (4-azido-2-methylbutan-2-yl) (2S)-pyrrolidine-2-carboxylate

(4-azido-2-methylbutan-2-yl) (2S)-pyrrolidine-2-carboxylate (PubChem CID 71295247) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is (4-azido-2-methylbutan-2-yl) (2S)-pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(4-azido-2-methylbutan-2-yl) (2S)-pyrrolidine-2-carboxylate
PubChem CID71295247
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name(4-azido-2-methylbutan-2-yl) (2S)-pyrrolidine-2-carboxylate
SMILESCC(C)(CCN=[N+]=[N-])OC(=O)[C@@H]1CCCN1
InChIInChI=1S/C10H18N4O2/c1-10(2,5-7-13-14-11)16-9(15)8-4-3-6-12-8/h8,12H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyOZSCKPYBTSEORU-QMMMGPOBSA-N
XLogP1.76
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (4-azido-2-methylbutan-2-yl) (2S)-pyrrolidine-2-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 (4-azido-2-methylbutan-2-yl) (2S)-pyrrolidine-2-carboxylate?
The IUPAC name of (4-azido-2-methylbutan-2-yl) (2S)-pyrrolidine-2-carboxylate (CID 71295247) is (4-azido-2-methylbutan-2-yl) (2S)-pyrrolidine-2-carboxylate.
What is the SMILES notation for (4-azido-2-methylbutan-2-yl) (2S)-pyrrolidine-2-carboxylate?
The canonical SMILES for (4-azido-2-methylbutan-2-yl) (2S)-pyrrolidine-2-carboxylate is CC(C)(CCN=[N+]=[N-])OC(=O)[C@@H]1CCCN1.
What is the InChIKey of (4-azido-2-methylbutan-2-yl) (2S)-pyrrolidine-2-carboxylate?
The InChIKey is OZSCKPYBTSEORU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-10(2,5-7-13-14-11)16-9(15)8-4-3-6-12-8/h8,12H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (4-azido-2-methylbutan-2-yl) (2S)-pyrrolidine-2-carboxylate?
(4-azido-2-methylbutan-2-yl) (2S)-pyrrolidine-2-carboxylate has a molecular weight of 226.28 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-azido-2-methylbutan-2-yl) (2S)-pyrrolidine-2-carboxylate is sourced from PubChem (CID 71295247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).