(3S,4R)-1-(2-azidoethyl)-3-(ethoxymethyl)-4-methylpyrrolidine

C10H20N4O — CID 129498344

IUPAC(3S,4R)-1-(2-azidoethyl)-3-(ethoxymethyl)-4-methylpyrrolidine
SMILESCCOC[C@@H]1CN(CCN=[N+]=[N-])C[C@@H]1C
InChIInChI=1S/C10H20N4O/c1-3-15-8-10-7-14(6-9(10)2)5-4-12-13-11/h9-10H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyHYUXHBQDFBDADH-UWVGGRQHSA-N
MW212.30 g/mol
LogP1.90
Rot. Bonds6

About (3S,4R)-1-(2-azidoethyl)-3-(ethoxymethyl)-4-methylpyrrolidine

(3S,4R)-1-(2-azidoethyl)-3-(ethoxymethyl)-4-methylpyrrolidine (PubChem CID 129498344) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is (3S,4R)-1-(2-azidoethyl)-3-(ethoxymethyl)-4-methylpyrrolidine.

Molecular Properties

Compound Name(3S,4R)-1-(2-azidoethyl)-3-(ethoxymethyl)-4-methylpyrrolidine
PubChem CID129498344
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name(3S,4R)-1-(2-azidoethyl)-3-(ethoxymethyl)-4-methylpyrrolidine
SMILESCCOC[C@@H]1CN(CCN=[N+]=[N-])C[C@@H]1C
InChIInChI=1S/C10H20N4O/c1-3-15-8-10-7-14(6-9(10)2)5-4-12-13-11/h9-10H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyHYUXHBQDFBDADH-UWVGGRQHSA-N
XLogP1.90
TPSA61.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(2-azidoethyl)-3-(ethoxymethyl)-4-methylpyrrolidine?
The IUPAC name of (3S,4R)-1-(2-azidoethyl)-3-(ethoxymethyl)-4-methylpyrrolidine (CID 129498344) is (3S,4R)-1-(2-azidoethyl)-3-(ethoxymethyl)-4-methylpyrrolidine.
What is the SMILES notation for (3S,4R)-1-(2-azidoethyl)-3-(ethoxymethyl)-4-methylpyrrolidine?
The canonical SMILES for (3S,4R)-1-(2-azidoethyl)-3-(ethoxymethyl)-4-methylpyrrolidine is CCOC[C@@H]1CN(CCN=[N+]=[N-])C[C@@H]1C.
What is the InChIKey of (3S,4R)-1-(2-azidoethyl)-3-(ethoxymethyl)-4-methylpyrrolidine?
The InChIKey is HYUXHBQDFBDADH-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H20N4O/c1-3-15-8-10-7-14(6-9(10)2)5-4-12-13-11/h9-10H,3-8H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (3S,4R)-1-(2-azidoethyl)-3-(ethoxymethyl)-4-methylpyrrolidine?
(3S,4R)-1-(2-azidoethyl)-3-(ethoxymethyl)-4-methylpyrrolidine has a molecular weight of 212.30 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(2-azidoethyl)-3-(ethoxymethyl)-4-methylpyrrolidine is sourced from PubChem (CID 129498344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).