ethyl (1S,4R)-4-aminocyclopent-2-ene-1-carboxylate

C8H13NO2 — CID 45090189

IUPACethyl (1S,4R)-4-aminocyclopent-2-ene-1-carboxylate
SMILESCCOC(=O)[C@@H]1C=C[C@H](N)C1
InChIInChI=1S/C8H13NO2/c1-2-11-8(10)6-3-4-7(9)5-6/h3-4,6-7H,2,5,9H2,1H3/t6-,7+/m1/s1
InChIKeyXCDXTVQLNVHFOH-RQJHMYQMSA-N
MW155.20 g/mol
LogP0.45
Rot. Bonds2

About ethyl (1S,4R)-4-aminocyclopent-2-ene-1-carboxylate

ethyl (1S,4R)-4-aminocyclopent-2-ene-1-carboxylate (PubChem CID 45090189) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is ethyl (1S,4R)-4-aminocyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl (1S,4R)-4-aminocyclopent-2-ene-1-carboxylate
PubChem CID45090189
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Nameethyl (1S,4R)-4-aminocyclopent-2-ene-1-carboxylate
SMILESCCOC(=O)[C@@H]1C=C[C@H](N)C1
InChIInChI=1S/C8H13NO2/c1-2-11-8(10)6-3-4-7(9)5-6/h3-4,6-7H,2,5,9H2,1H3/t6-,7+/m1/s1
InChIKeyXCDXTVQLNVHFOH-RQJHMYQMSA-N
XLogP0.45
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride
CID 23508762
methyl (1S)-4-aminocyclopent-2-ene-1-carboxylate
CID 89349898
2-propoxyethyl 4-aminocyclopent-2-ene-1-carboxylate
CID 79210072
methyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride
CID 18538082
4-amino-N-ethyl-N-methylcyclopent-2-ene-1-carboxamide
CID 79211003
4-amino-N-ethylcyclopent-2-ene-1-carboxamide
CID 79211546
4-amino-N-ethyl-N-propan-2-ylcyclopent-2-ene-1-carboxamide
CID 79211082
ethyl 2-aminocyclopropane-1-carboxylate
CID 53488445
4-amino-N-cyclohexyl-N-ethylcyclopent-2-ene-1-carboxamide
CID 79211073
ethyl 2,3-dihydrothiophene-3-carboxylate
CID 13430681
ethyl (1R)-cyclohexa-2,4-diene-1-carboxylate
CID 142951121
(3-chlorophenyl)methyl 4-aminocyclopent-2-ene-1-carboxylate
CID 79209447

Frequently Asked Questions

What is the IUPAC name of ethyl (1S,4R)-4-aminocyclopent-2-ene-1-carboxylate?
The IUPAC name of ethyl (1S,4R)-4-aminocyclopent-2-ene-1-carboxylate (CID 45090189) is ethyl (1S,4R)-4-aminocyclopent-2-ene-1-carboxylate.
What is the SMILES notation for ethyl (1S,4R)-4-aminocyclopent-2-ene-1-carboxylate?
The canonical SMILES for ethyl (1S,4R)-4-aminocyclopent-2-ene-1-carboxylate is CCOC(=O)[C@@H]1C=C[C@H](N)C1.
What is the InChIKey of ethyl (1S,4R)-4-aminocyclopent-2-ene-1-carboxylate?
The InChIKey is XCDXTVQLNVHFOH-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-11-8(10)6-3-4-7(9)5-6/h3-4,6-7H,2,5,9H2,1H3/t6-,7+/m1/s1.
What are the key properties of ethyl (1S,4R)-4-aminocyclopent-2-ene-1-carboxylate?
ethyl (1S,4R)-4-aminocyclopent-2-ene-1-carboxylate has a molecular weight of 155.20 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S,4R)-4-aminocyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 45090189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).