(2S)-2-(azidomethyl)pyrrolidine;tert-butyl formate

C10H20N4O2 — CID 174792433

IUPAC(2S)-2-(azidomethyl)pyrrolidine;tert-butyl formate
SMILESCC(C)(C)OC=O.[N-]=[N+]=NC[C@@H]1CCCN1
InChIInChI=1S/C5H10N4.C5H10O2/c6-9-8-4-5-2-1-3-7-5;1-5(2,3)7-4-6/h5,7H,1-4H2;4H,1-3H3/t5-;/m0./s1
InChIKeyUIZUDPIFGVOCKT-JEDNCBNOSA-N
MW228.30 g/mol
LogP2.01
Rot. Bonds3

About (2S)-2-(azidomethyl)pyrrolidine;tert-butyl formate

(2S)-2-(azidomethyl)pyrrolidine;tert-butyl formate (PubChem CID 174792433) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is (2S)-2-(azidomethyl)pyrrolidine;tert-butyl formate.

Molecular Properties

Compound Name(2S)-2-(azidomethyl)pyrrolidine;tert-butyl formate
PubChem CID174792433
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name(2S)-2-(azidomethyl)pyrrolidine;tert-butyl formate
SMILESCC(C)(C)OC=O.[N-]=[N+]=NC[C@@H]1CCCN1
InChIInChI=1S/C5H10N4.C5H10O2/c6-9-8-4-5-2-1-3-7-5;1-5(2,3)7-4-6/h5,7H,1-4H2;4H,1-3H3/t5-;/m0./s1
InChIKeyUIZUDPIFGVOCKT-JEDNCBNOSA-N
XLogP2.01
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(azidomethyl)pyrrolidine;tert-butyl formate?
The IUPAC name of (2S)-2-(azidomethyl)pyrrolidine;tert-butyl formate (CID 174792433) is (2S)-2-(azidomethyl)pyrrolidine;tert-butyl formate.
What is the SMILES notation for (2S)-2-(azidomethyl)pyrrolidine;tert-butyl formate?
The canonical SMILES for (2S)-2-(azidomethyl)pyrrolidine;tert-butyl formate is CC(C)(C)OC=O.[N-]=[N+]=NC[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-(azidomethyl)pyrrolidine;tert-butyl formate?
The InChIKey is UIZUDPIFGVOCKT-JEDNCBNOSA-N. The full InChI is InChI=1S/C5H10N4.C5H10O2/c6-9-8-4-5-2-1-3-7-5;1-5(2,3)7-4-6/h5,7H,1-4H2;4H,1-3H3/t5-;/m0./s1.
What are the key properties of (2S)-2-(azidomethyl)pyrrolidine;tert-butyl formate?
(2S)-2-(azidomethyl)pyrrolidine;tert-butyl formate has a molecular weight of 228.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(azidomethyl)pyrrolidine;tert-butyl formate is sourced from PubChem (CID 174792433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).