2-propoxyethyl 4-aminocyclopent-2-ene-1-carboxylate

C11H19NO3 — CID 79210072

IUPAC2-propoxyethyl 4-aminocyclopent-2-ene-1-carboxylate
SMILESCCCOCCOC(=O)C1C=CC(N)C1
InChIInChI=1S/C11H19NO3/c1-2-5-14-6-7-15-11(13)9-3-4-10(12)8-9/h3-4,9-10H,2,5-8,12H2,1H3
InChIKeyJHQITUVTBQYGSC-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.86
Rot. Bonds6

About 2-propoxyethyl 4-aminocyclopent-2-ene-1-carboxylate

2-propoxyethyl 4-aminocyclopent-2-ene-1-carboxylate (PubChem CID 79210072) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-propoxyethyl 4-aminocyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Name2-propoxyethyl 4-aminocyclopent-2-ene-1-carboxylate
PubChem CID79210072
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-propoxyethyl 4-aminocyclopent-2-ene-1-carboxylate
SMILESCCCOCCOC(=O)C1C=CC(N)C1
InChIInChI=1S/C11H19NO3/c1-2-5-14-6-7-15-11(13)9-3-4-10(12)8-9/h3-4,9-10H,2,5-8,12H2,1H3
InChIKeyJHQITUVTBQYGSC-UHFFFAOYSA-N
XLogP0.86
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl (1S,4R)-4-aminocyclopent-2-ene-1-carboxylate
CID 45090189
ethyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride
CID 23508762
methyl (1S)-4-aminocyclopent-2-ene-1-carboxylate
CID 89349898
methyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride
CID 18538082
2-propoxyethyl 4-aminocyclohexane-1-carboxylate
CID 63684339
4-amino-N-ethylcyclopent-2-ene-1-carboxamide
CID 79211546
2-propoxyethyl cyclohexanecarboxylate
CID 66700127
2-methoxyethyl (1S)-4-methylcyclopent-2-ene-1-carboxylate
CID 163379852
2-propoxyethyl (3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalene-2-carboxylate
CID 157312533
4-amino-N-ethyl-N-propan-2-ylcyclopent-2-ene-1-carboxamide
CID 79211082
(4-aminocyclopent-2-en-1-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
CID 79210804
2-[2-(2-propoxyethoxy)ethoxy]ethyl carbamate
CID 177163981

Frequently Asked Questions

What is the IUPAC name of 2-propoxyethyl 4-aminocyclopent-2-ene-1-carboxylate?
The IUPAC name of 2-propoxyethyl 4-aminocyclopent-2-ene-1-carboxylate (CID 79210072) is 2-propoxyethyl 4-aminocyclopent-2-ene-1-carboxylate.
What is the SMILES notation for 2-propoxyethyl 4-aminocyclopent-2-ene-1-carboxylate?
The canonical SMILES for 2-propoxyethyl 4-aminocyclopent-2-ene-1-carboxylate is CCCOCCOC(=O)C1C=CC(N)C1.
What is the InChIKey of 2-propoxyethyl 4-aminocyclopent-2-ene-1-carboxylate?
The InChIKey is JHQITUVTBQYGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-5-14-6-7-15-11(13)9-3-4-10(12)8-9/h3-4,9-10H,2,5-8,12H2,1H3.
What are the key properties of 2-propoxyethyl 4-aminocyclopent-2-ene-1-carboxylate?
2-propoxyethyl 4-aminocyclopent-2-ene-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyethyl 4-aminocyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 79210072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).