2-(1-ethenylcyclopentyl)-2-[(2-methylpropan-2-yl)oxycarbonyldiazenyl]acetic acid

C14H22N2O4 — CID 118486072

IUPAC2-(1-ethenylcyclopentyl)-2-[(2-methylpropan-2-yl)oxycarbonyldiazenyl]acetic acid
SMILESC=CC1(C(/N=N/C(=O)OC(C)(C)C)C(=O)O)CCCC1
InChIInChI=1S/C14H22N2O4/c1-5-14(8-6-7-9-14)10(11(17)18)15-16-12(19)20-13(2,3)4/h5,10H,1,6-9H2,2-4H3,(H,17,18)/b16-15+
InChIKeyHEQNZXHEUUXAQM-FOCLMDBBSA-N
MW282.34 g/mol
LogP3.57
Rot. Bonds4

About 2-(1-ethenylcyclopentyl)-2-[(2-methylpropan-2-yl)oxycarbonyldiazenyl]acetic acid

2-(1-ethenylcyclopentyl)-2-[(2-methylpropan-2-yl)oxycarbonyldiazenyl]acetic acid (PubChem CID 118486072) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(1-ethenylcyclopentyl)-2-[(2-methylpropan-2-yl)oxycarbonyldiazenyl]acetic acid.

Molecular Properties

Compound Name2-(1-ethenylcyclopentyl)-2-[(2-methylpropan-2-yl)oxycarbonyldiazenyl]acetic acid
PubChem CID118486072
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-(1-ethenylcyclopentyl)-2-[(2-methylpropan-2-yl)oxycarbonyldiazenyl]acetic acid
SMILESC=CC1(C(/N=N/C(=O)OC(C)(C)C)C(=O)O)CCCC1
InChIInChI=1S/C14H22N2O4/c1-5-14(8-6-7-9-14)10(11(17)18)15-16-12(19)20-13(2,3)4/h5,10H,1,6-9H2,2-4H3,(H,17,18)/b16-15+
InChIKeyHEQNZXHEUUXAQM-FOCLMDBBSA-N
XLogP3.57
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ditert-butyl 2-(1-propa-1,2-dienylcyclohexyl)propanedioate
CID 102074043
tert-butyl 2-ethenyl-2-methylpiperidine-1-carboxylate
CID 166068808
tert-butyl prop-2-enoate;cyclopentatetracontane
CID 174869509
tert-butyl prop-2-enoate;cycloicosane
CID 174934602
tert-butyl (NZ)-N-(aminomethylidene)carbamate
CID 82467777
tert-butyl prop-2-enoate;cyclononadecane
CID 174964635
(2R)-2-(1-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 67052824
tert-butyl N-[2-[(1S,3S,5S)-3-carbamoyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(1-ethenylcyclopentyl)-2-oxoethyl]carbamate
CID 11257421
tert-butyl 1-hydroxycyclopentane-1-carboxylate
CID 86626433
tert-butyl N-(1-prop-2-enylcyclopentyl)carbamate
CID 91758204
2-[1-(1-fluoroethenyl)cyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 88980683
(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid
CID 174692646

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethenylcyclopentyl)-2-[(2-methylpropan-2-yl)oxycarbonyldiazenyl]acetic acid?
The IUPAC name of 2-(1-ethenylcyclopentyl)-2-[(2-methylpropan-2-yl)oxycarbonyldiazenyl]acetic acid (CID 118486072) is 2-(1-ethenylcyclopentyl)-2-[(2-methylpropan-2-yl)oxycarbonyldiazenyl]acetic acid.
What is the SMILES notation for 2-(1-ethenylcyclopentyl)-2-[(2-methylpropan-2-yl)oxycarbonyldiazenyl]acetic acid?
The canonical SMILES for 2-(1-ethenylcyclopentyl)-2-[(2-methylpropan-2-yl)oxycarbonyldiazenyl]acetic acid is C=CC1(C(/N=N/C(=O)OC(C)(C)C)C(=O)O)CCCC1.
What is the InChIKey of 2-(1-ethenylcyclopentyl)-2-[(2-methylpropan-2-yl)oxycarbonyldiazenyl]acetic acid?
The InChIKey is HEQNZXHEUUXAQM-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-5-14(8-6-7-9-14)10(11(17)18)15-16-12(19)20-13(2,3)4/h5,10H,1,6-9H2,2-4H3,(H,17,18)/b16-15+.
What are the key properties of 2-(1-ethenylcyclopentyl)-2-[(2-methylpropan-2-yl)oxycarbonyldiazenyl]acetic acid?
2-(1-ethenylcyclopentyl)-2-[(2-methylpropan-2-yl)oxycarbonyldiazenyl]acetic acid has a molecular weight of 282.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethenylcyclopentyl)-2-[(2-methylpropan-2-yl)oxycarbonyldiazenyl]acetic acid is sourced from PubChem (CID 118486072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).