ethyl 2-[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]-4-cyclopropylthiophene-3-carboxylate

C19H23NO5S — CID 9065788

IUPACethyl 2-[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]-4-cyclopropylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)C[C@@H]1C=CCC1
InChIInChI=1S/C19H23NO5S/c1-2-24-19(23)17-14(13-7-8-13)11-26-18(17)20-15(21)10-25-16(22)9-12-5-3-4-6-12/h3,5,11-13H,2,4,6-10H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyYJSUOXHPOUPZGT-GFCCVEGCSA-N
MW377.46 g/mol
LogP3.64
Rot. Bonds8

About ethyl 2-[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]-4-cyclopropylthiophene-3-carboxylate

ethyl 2-[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]-4-cyclopropylthiophene-3-carboxylate (PubChem CID 9065788) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is ethyl 2-[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]-4-cyclopropylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]-4-cyclopropylthiophene-3-carboxylate
PubChem CID9065788
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Nameethyl 2-[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]-4-cyclopropylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)C[C@@H]1C=CCC1
InChIInChI=1S/C19H23NO5S/c1-2-24-19(23)17-14(13-7-8-13)11-26-18(17)20-15(21)10-25-16(22)9-12-5-3-4-6-12/h3,5,11-13H,2,4,6-10H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyYJSUOXHPOUPZGT-GFCCVEGCSA-N
XLogP3.64
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 9065633
ethyl 2-[[2-[3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoyloxy]acetyl]amino]-4-cyclopropylthiophene-3-carboxylate
CID 98283276
ethyl 4-cyclopropyl-2-[[2-[(1R,2S)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 8019991
ethyl 2-[(2-chloroacetyl)amino]-4-cyclopropylthiophene-3-carboxylate
CID 2432665
ethyl 4-cyclopropyl-2-[[2-[3-(4-fluorophenyl)propanoyloxy]acetyl]amino]thiophene-3-carboxylate
CID 8552784
ethyl 4-cyclopropyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 2627168
ethyl 4-cyclopropyl-2-[[2-(1,1-dioxothiolane-3-carbonyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 55425930
ethyl 4-acetyl-2-[[2-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 8925586
ethyl 4-cyclopropyl-2-[[2-(prop-2-enylamino)acetyl]amino]thiophene-3-carboxylate
CID 78908249
[2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 7554193
ethyl 2-(5-bromopentanoylamino)-4-cyclopropylthiophene-3-carboxylate
CID 103601671
ethyl 4-cyclopropyl-2-[(2-pyrrolidin-1-ylacetyl)amino]thiophene-3-carboxylate
CID 8901519

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]-4-cyclopropylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]-4-cyclopropylthiophene-3-carboxylate (CID 9065788) is ethyl 2-[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]-4-cyclopropylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]-4-cyclopropylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]-4-cyclopropylthiophene-3-carboxylate is CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)C[C@@H]1C=CCC1.
What is the InChIKey of ethyl 2-[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]-4-cyclopropylthiophene-3-carboxylate?
The InChIKey is YJSUOXHPOUPZGT-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-2-24-19(23)17-14(13-7-8-13)11-26-18(17)20-15(21)10-25-16(22)9-12-5-3-4-6-12/h3,5,11-13H,2,4,6-10H2,1H3,(H,20,21)/t12-/m1/s1.
What are the key properties of ethyl 2-[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]-4-cyclopropylthiophene-3-carboxylate?
ethyl 2-[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]-4-cyclopropylthiophene-3-carboxylate has a molecular weight of 377.46 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]-4-cyclopropylthiophene-3-carboxylate is sourced from PubChem (CID 9065788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).