methyl 2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetate

C11H20N4O3 — CID 82837840

IUPACmethyl 2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetate
SMILESCOC(=O)C(NCCCN=[N+]=[N-])C1CCC(C)O1
InChIInChI=1S/C11H20N4O3/c1-8-4-5-9(18-8)10(11(16)17-2)13-6-3-7-14-15-12/h8-10,13H,3-7H2,1-2H3
InChIKeyCJQWZRFKLQBJAV-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.39
Rot. Bonds7

About methyl 2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetate

methyl 2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetate (PubChem CID 82837840) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is methyl 2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetate
PubChem CID82837840
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Namemethyl 2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetate
SMILESCOC(=O)C(NCCCN=[N+]=[N-])C1CCC(C)O1
InChIInChI=1S/C11H20N4O3/c1-8-4-5-9(18-8)10(11(16)17-2)13-6-3-7-14-15-12/h8-10,13H,3-7H2,1-2H3
InChIKeyCJQWZRFKLQBJAV-UHFFFAOYSA-N
XLogP1.39
TPSA96.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 methyl 2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetate?
The IUPAC name of methyl 2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetate (CID 82837840) is methyl 2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetate.
What is the SMILES notation for methyl 2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetate?
The canonical SMILES for methyl 2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetate is COC(=O)C(NCCCN=[N+]=[N-])C1CCC(C)O1.
What is the InChIKey of methyl 2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetate?
The InChIKey is CJQWZRFKLQBJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-8-4-5-9(18-8)10(11(16)17-2)13-6-3-7-14-15-12/h8-10,13H,3-7H2,1-2H3.
What are the key properties of methyl 2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetate?
methyl 2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetate has a molecular weight of 256.31 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetate is sourced from PubChem (CID 82837840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).