ethyl 4-azido-3-cyclopentylbutanoate

C11H19N3O2 — CID 86759177

IUPACethyl 4-azido-3-cyclopentylbutanoate
SMILESCCOC(=O)CC(CN=[N+]=[N-])C1CCCC1
InChIInChI=1S/C11H19N3O2/c1-2-16-11(15)7-10(8-13-14-12)9-5-3-4-6-9/h9-10H,2-8H2,1H3
InChIKeyWGULKKHZISBHGC-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.06
Rot. Bonds6

About ethyl 4-azido-3-cyclopentylbutanoate

ethyl 4-azido-3-cyclopentylbutanoate (PubChem CID 86759177) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl 4-azido-3-cyclopentylbutanoate.

Molecular Properties

Compound Nameethyl 4-azido-3-cyclopentylbutanoate
PubChem CID86759177
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Nameethyl 4-azido-3-cyclopentylbutanoate
SMILESCCOC(=O)CC(CN=[N+]=[N-])C1CCCC1
InChIInChI=1S/C11H19N3O2/c1-2-16-11(15)7-10(8-13-14-12)9-5-3-4-6-9/h9-10H,2-8H2,1H3
InChIKeyWGULKKHZISBHGC-UHFFFAOYSA-N
XLogP3.06
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.06
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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Related Compounds

ethyl 4-azido-3-hydroxybutanoate
CID 14685344
ethyl (3S)-4-azido-3-hydroxybutanoate
CID 10888398
ethyl 3-azido-2-hydroxypropanoate
CID 10888191
(1R)-2-azido-1-cyclopentylethanol
CID 83093623
ethyl (3R)-4-azido-3-(prop-2-enoxycarbonylamino)butanoate
CID 54047072
methyl 3-azido-2-[(2-ethoxy-2-oxoethyl)amino]propanoate
CID 75040874
methyl 4-amino-3-cyclohexylbutanoate
CID 66098715
ethyl 3-[[(1R)-1-cycloheptylethyl]amino]butanoate
CID 81391748
ethyl 5,5-dichloro-3-cyclopentylpent-4-enoate
CID 132579887
ethyl 2-cyclopentylpropanoate
CID 10654733
ethyl 3-cyclopropylbutanoate
CID 47078610
diethyl 2-cyclohexyl-3-cyclopentylbutanedioate
CID 22241844

Frequently Asked Questions

What is the IUPAC name of ethyl 4-azido-3-cyclopentylbutanoate?
The IUPAC name of ethyl 4-azido-3-cyclopentylbutanoate (CID 86759177) is ethyl 4-azido-3-cyclopentylbutanoate.
What is the SMILES notation for ethyl 4-azido-3-cyclopentylbutanoate?
The canonical SMILES for ethyl 4-azido-3-cyclopentylbutanoate is CCOC(=O)CC(CN=[N+]=[N-])C1CCCC1.
What is the InChIKey of ethyl 4-azido-3-cyclopentylbutanoate?
The InChIKey is WGULKKHZISBHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-16-11(15)7-10(8-13-14-12)9-5-3-4-6-9/h9-10H,2-8H2,1H3.
What are the key properties of ethyl 4-azido-3-cyclopentylbutanoate?
ethyl 4-azido-3-cyclopentylbutanoate has a molecular weight of 225.29 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-azido-3-cyclopentylbutanoate is sourced from PubChem (CID 86759177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).