3-(azidomethyl)pyrrolidin-3-ol;tert-butyl formate

C10H20N4O3 — CID 174792112

IUPAC3-(azidomethyl)pyrrolidin-3-ol;tert-butyl formate
SMILESCC(C)(C)OC=O.[N-]=[N+]=NCC1(O)CCNC1
InChIInChI=1S/C5H10N4O.C5H10O2/c6-9-8-4-5(10)1-2-7-3-5;1-5(2,3)7-4-6/h7,10H,1-4H2;4H,1-3H3
InChIKeyXBJYKURHIYSJNO-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.98
Rot. Bonds3

About 3-(azidomethyl)pyrrolidin-3-ol;tert-butyl formate

3-(azidomethyl)pyrrolidin-3-ol;tert-butyl formate (PubChem CID 174792112) has the molecular formula C10H20N4O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(azidomethyl)pyrrolidin-3-ol;tert-butyl formate.

Molecular Properties

Compound Name3-(azidomethyl)pyrrolidin-3-ol;tert-butyl formate
PubChem CID174792112
Molecular FormulaC10H20N4O3
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC Name3-(azidomethyl)pyrrolidin-3-ol;tert-butyl formate
SMILESCC(C)(C)OC=O.[N-]=[N+]=NCC1(O)CCNC1
InChIInChI=1S/C5H10N4O.C5H10O2/c6-9-8-4-5(10)1-2-7-3-5;1-5(2,3)7-4-6/h7,10H,1-4H2;4H,1-3H3
InChIKeyXBJYKURHIYSJNO-UHFFFAOYSA-N
XLogP0.98
TPSA107.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

tert-butyl formate;4-(3-hydroxypropyl)piperidin-4-ol
CID 174761865
tert-butyl formate;3-methylpyrrolidin-3-amine
CID 174689676
(2S)-2-(azidomethyl)pyrrolidine;tert-butyl formate
CID 174792433
(4-aminopiperidin-4-yl)methanol;tert-butyl formate
CID 174950700
tert-butyl formate;4,4-difluoropiperidine
CID 174784442
bicyclo[2.2.0]hexa-1,3,5-triene;tert-butyl formate;4-(trifluoromethyl)piperidin-4-ol
CID 174428984
1-azidoethyl 2-(4-hydroxypiperidin-4-yl)acetate
CID 174491277
tert-butyl formate;2-(4-methylpiperidin-4-yl)acetonitrile
CID 158247300
tert-butyl formate;N-[(4-hydroxypiperidin-4-yl)methyl]-N-(2-iodofuran-3-yl)formamide
CID 174970058
tert-butyl formate;carbamic acid;piperazine
CID 174978332
5-(3-azidopropyl)-4-oxa-1-azabicyclo[3.1.0]hexane;tert-butyl formate
CID 174926977
(4-benzylpiperidin-4-yl)methanol;tert-butyl formate
CID 174826252

Frequently Asked Questions

What is the IUPAC name of 3-(azidomethyl)pyrrolidin-3-ol;tert-butyl formate?
The IUPAC name of 3-(azidomethyl)pyrrolidin-3-ol;tert-butyl formate (CID 174792112) is 3-(azidomethyl)pyrrolidin-3-ol;tert-butyl formate.
What is the SMILES notation for 3-(azidomethyl)pyrrolidin-3-ol;tert-butyl formate?
The canonical SMILES for 3-(azidomethyl)pyrrolidin-3-ol;tert-butyl formate is CC(C)(C)OC=O.[N-]=[N+]=NCC1(O)CCNC1.
What is the InChIKey of 3-(azidomethyl)pyrrolidin-3-ol;tert-butyl formate?
The InChIKey is XBJYKURHIYSJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O.C5H10O2/c6-9-8-4-5(10)1-2-7-3-5;1-5(2,3)7-4-6/h7,10H,1-4H2;4H,1-3H3.
What are the key properties of 3-(azidomethyl)pyrrolidin-3-ol;tert-butyl formate?
3-(azidomethyl)pyrrolidin-3-ol;tert-butyl formate has a molecular weight of 244.29 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethyl)pyrrolidin-3-ol;tert-butyl formate is sourced from PubChem (CID 174792112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).