ethyl 3-(2-azidoethylamino)-2-methyloxolane-3-carboxylate

C10H18N4O3 — CID 82718490

IUPACethyl 3-(2-azidoethylamino)-2-methyloxolane-3-carboxylate
SMILESCCOC(=O)C1(NCCN=[N+]=[N-])CCOC1C
InChIInChI=1S/C10H18N4O3/c1-3-16-9(15)10(4-7-17-8(10)2)12-5-6-13-14-11/h8,12H,3-7H2,1-2H3
InChIKeyAKGCDAYVMQTAIE-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.00
Rot. Bonds6

About ethyl 3-(2-azidoethylamino)-2-methyloxolane-3-carboxylate

ethyl 3-(2-azidoethylamino)-2-methyloxolane-3-carboxylate (PubChem CID 82718490) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is ethyl 3-(2-azidoethylamino)-2-methyloxolane-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-azidoethylamino)-2-methyloxolane-3-carboxylate
PubChem CID82718490
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Nameethyl 3-(2-azidoethylamino)-2-methyloxolane-3-carboxylate
SMILESCCOC(=O)C1(NCCN=[N+]=[N-])CCOC1C
InChIInChI=1S/C10H18N4O3/c1-3-16-9(15)10(4-7-17-8(10)2)12-5-6-13-14-11/h8,12H,3-7H2,1-2H3
InChIKeyAKGCDAYVMQTAIE-UHFFFAOYSA-N
XLogP1.00
TPSA96.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.00
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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Related Compounds

3-(2-azidoethylamino)-2-methyloxolane-3-carboxylic acid
CID 82718325
ethyl 3-[2-(dimethylamino)ethylamino]-2-methyloxolane-3-carboxylate
CID 82718775
ethyl 1-(3-azidopropylamino)-2-methylcyclopentane-1-carboxylate
CID 66188553
ethyl 3-(butan-2-ylamino)-2-methyloxolane-3-carboxylate
CID 82718161
ethyl 1-(2-azidoethylamino)-4-ethylcyclohexane-1-carboxylate
CID 66191221
2-methyl-3-(propylamino)oxolane-3-carboxylic acid
CID 82718479
ethyl 1-(2-azidoethylamino)-3-ethylcyclopentane-1-carboxylate
CID 66190834
ethyl 1-(2-azidoethylamino)-4-tert-butylcyclohexane-1-carboxylate
CID 66190432
methyl 4-(2-azidoethylamino)-2-ethyloxane-4-carboxylate
CID 66189817
ethyl 1-(2-azidoethylamino)-3,3,5,5-tetramethylcyclohexane-1-carboxylate
CID 115999252
1-(2-azidoethylamino)-2-methylcyclopentane-1-carboxamide
CID 66189857
ethyl 4-(3-azidopropylamino)-1-azabicyclo[3.2.1]octane-4-carboxylate
CID 105365519

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-azidoethylamino)-2-methyloxolane-3-carboxylate?
The IUPAC name of ethyl 3-(2-azidoethylamino)-2-methyloxolane-3-carboxylate (CID 82718490) is ethyl 3-(2-azidoethylamino)-2-methyloxolane-3-carboxylate.
What is the SMILES notation for ethyl 3-(2-azidoethylamino)-2-methyloxolane-3-carboxylate?
The canonical SMILES for ethyl 3-(2-azidoethylamino)-2-methyloxolane-3-carboxylate is CCOC(=O)C1(NCCN=[N+]=[N-])CCOC1C.
What is the InChIKey of ethyl 3-(2-azidoethylamino)-2-methyloxolane-3-carboxylate?
The InChIKey is AKGCDAYVMQTAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-3-16-9(15)10(4-7-17-8(10)2)12-5-6-13-14-11/h8,12H,3-7H2,1-2H3.
What are the key properties of ethyl 3-(2-azidoethylamino)-2-methyloxolane-3-carboxylate?
ethyl 3-(2-azidoethylamino)-2-methyloxolane-3-carboxylate has a molecular weight of 242.28 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-azidoethylamino)-2-methyloxolane-3-carboxylate is sourced from PubChem (CID 82718490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).