tert-butyl 2-(2-azido-1-hydroxyethyl)pyrrolidine-1-carboxylate

C11H20N4O3 — CID 102537767

IUPACtert-butyl 2-(2-azido-1-hydroxyethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C(O)CN=[N+]=[N-]
InChIInChI=1S/C11H20N4O3/c1-11(2,3)18-10(17)15-6-4-5-8(15)9(16)7-13-14-12/h8-9,16H,4-7H2,1-3H3
InChIKeyCYFDWIGNSXJDLH-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.06
Rot. Bonds3

About tert-butyl 2-(2-azido-1-hydroxyethyl)pyrrolidine-1-carboxylate

tert-butyl 2-(2-azido-1-hydroxyethyl)pyrrolidine-1-carboxylate (PubChem CID 102537767) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is tert-butyl 2-(2-azido-1-hydroxyethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-azido-1-hydroxyethyl)pyrrolidine-1-carboxylate
PubChem CID102537767
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Nametert-butyl 2-(2-azido-1-hydroxyethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C(O)CN=[N+]=[N-]
InChIInChI=1S/C11H20N4O3/c1-11(2,3)18-10(17)15-6-4-5-8(15)9(16)7-13-14-12/h8-9,16H,4-7H2,1-3H3
InChIKeyCYFDWIGNSXJDLH-UHFFFAOYSA-N
XLogP2.06
TPSA98.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.06
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'}

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Related Compounds

tert-butyl 2-(2-azido-1-hydroxyethyl)piperidine-1-carboxylate
CID 102537768
tert-butyl (2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidine-1-carboxylate
CID 102477716
tert-butyl 2-(2-amino-1-hydroxyethyl)pyrrolidine-1-carboxylate
CID 83487205
tert-butyl (2S)-2-[(1S)-1-hydroxybut-3-ynyl]pyrrolidine-1-carboxylate
CID 101001373
tert-butyl 2-(1,2-dihydroxyethyl)piperidine-1-carboxylate
CID 75952896
tert-butyl (2R)-2-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxylate
CID 95566963
tert-butyl (2S)-2-[(1R)-1,3-dihydroxypropyl]piperidine-1-carboxylate
CID 97173185
tert-butyl 2-(dihydroxymethyl)piperidine-1-carboxylate
CID 140989424
tert-butyl 2-(2-ethoxy-1-hydroxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 134373593
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propanoic acid
CID 23091770
tert-butyl 2-[(1R)-1-hydroxyethyl]piperidine-1-carboxylate
CID 130691829
tert-butyl (2S)-2-[(1S)-1-hydroxyethyl]piperidine-1-carboxylate
CID 94855628

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-azido-1-hydroxyethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-azido-1-hydroxyethyl)pyrrolidine-1-carboxylate (CID 102537767) is tert-butyl 2-(2-azido-1-hydroxyethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-azido-1-hydroxyethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-azido-1-hydroxyethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1C(O)CN=[N+]=[N-].
What is the InChIKey of tert-butyl 2-(2-azido-1-hydroxyethyl)pyrrolidine-1-carboxylate?
The InChIKey is CYFDWIGNSXJDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-11(2,3)18-10(17)15-6-4-5-8(15)9(16)7-13-14-12/h8-9,16H,4-7H2,1-3H3.
What are the key properties of tert-butyl 2-(2-azido-1-hydroxyethyl)pyrrolidine-1-carboxylate?
tert-butyl 2-(2-azido-1-hydroxyethyl)pyrrolidine-1-carboxylate has a molecular weight of 256.31 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-azido-1-hydroxyethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 102537767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).