trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4S)-2-[hex-5-enyl(methyl)carbamoyl]-4-hydroxycyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate;trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4R)-2-[hex-5-enyl(methyl)carbamoyl]-4-(5-phenyltetrazol-2-yl)cyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate

C53H74N6O9 — CID 158884462

About trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4S)-2-[hex-5-enyl(methyl)carbamoyl]-4-hydroxycyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate;trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4R)-2-[hex-5-enyl(methyl)carbamoyl]-4-(5-phenyltetrazol-2-yl)cyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate

trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4S)-2-[hex-5-enyl(methyl)carbamoyl]-4-hydroxycyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate;trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4R)-2-[hex-5-enyl(methyl)carbamoyl]-4-(5-phenyltetrazol-2-yl)cyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate (PubChem CID 158884462) has the molecular formula C53H74N6O9 and a molecular weight of 939.21 g/mol. Its IUPAC name is trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4S)-2-[hex-5-enyl(methyl)carbamoyl]-4-hydroxycyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate;trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4R)-2-[hex-5-enyl(methyl)carbamoyl]-4-(5-phenyltetrazol-2-yl)cyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4S)-2-[hex-5-enyl(methyl)carbamoyl]-4-hydroxycyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate;trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4R)-2-[hex-5-enyl(methyl)carbamoyl]-4-(5-phenyltetrazol-2-yl)cyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate
• PubChem CID: 158884462
• Molecular Formula: C53H74N6O9
• Molecular Weight: 939.21 g/mol
• Exact Mass: 938.55
• IUPAC Name: trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4S)-2-[hex-5-enyl(methyl)carbamoyl]-4-hydroxycyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate;trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4R)-2-[hex-5-enyl(methyl)carbamoyl]-4-(5-phenyltetrazol-2-yl)cyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate
• SMILES: C=CCCCCN(C)C(=O)[C@@H]1C[C@@H](O)C[C@H]1C(=O)C[C@]1(C(=O)OCC)C[C@H]1C=C.C=CCCCCN(C)C(=O)[C@@H]1C[C@H](n2nnc(-c3ccccc3)n2)C[C@H]1C(=O)C[C@]1(C(=O)OCC)C[C@H]1C=C
• InChI: InChI=1S/C30H39N5O4.C23H35NO5/c1-5-8-9-13-16-34(4)28(37)25-18-23(35-32-27(31-33-35)21-14-11-10-12-15-21)17-24(25)26(36)20-30(19-22(30)6-2)29(38)39-7-3;1-5-8-9-10-11-24(4)21(27)19-13-17(25)12-18(19)20(26)15-23(14-16(23)6-2)22(28)29-7-3/h5-6,10-12,14-15,22-25H,1-2,7-9,13,16-20H2,3-4H3;5-6,16-19,25H,1-2,7-15H2,3-4H3/t22-,23-,24-,25-,30-;16-,17+,18-,19-,23-/m11/s1
• InChIKey: JDLBQKZPCWAWIC-FJZBNZSJSA-N
• XLogP: 7.34
• TPSA: 191.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 26
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	939.21
LogP ≤ 5	7.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4S)-2-[hex-5-enyl(methyl)carbamoyl]-4-hydroxycyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate;trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4R)-2-[hex-5-enyl(methyl)carbamoyl]-4-(5-phenyltetrazol-2-yl)cyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate?

The IUPAC name of trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4S)-2-[hex-5-enyl(methyl)carbamoyl]-4-hydroxycyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate;trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4R)-2-[hex-5-enyl(methyl)carbamoyl]-4-(5-phenyltetrazol-2-yl)cyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate (CID 158884462) is trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4S)-2-[hex-5-enyl(methyl)carbamoyl]-4-hydroxycyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate;trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4R)-2-[hex-5-enyl(methyl)carbamoyl]-4-(5-phenyltetrazol-2-yl)cyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate.

What is the SMILES notation for trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4S)-2-[hex-5-enyl(methyl)carbamoyl]-4-hydroxycyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate;trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4R)-2-[hex-5-enyl(methyl)carbamoyl]-4-(5-phenyltetrazol-2-yl)cyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate?

The canonical SMILES for trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4S)-2-[hex-5-enyl(methyl)carbamoyl]-4-hydroxycyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate;trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4R)-2-[hex-5-enyl(methyl)carbamoyl]-4-(5-phenyltetrazol-2-yl)cyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate is C=CCCCCN(C)C(=O)[C@@H]1C[C@@H](O)C[C@H]1C(=O)C[C@]1(C(=O)OCC)C[C@H]1C=C.C=CCCCCN(C)C(=O)[C@@H]1C[C@H](n2nnc(-c3ccccc3)n2)C[C@H]1C(=O)C[C@]1(C(=O)OCC)C[C@H]1C=C.

What is the InChIKey of trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4S)-2-[hex-5-enyl(methyl)carbamoyl]-4-hydroxycyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate;trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4R)-2-[hex-5-enyl(methyl)carbamoyl]-4-(5-phenyltetrazol-2-yl)cyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate?

The InChIKey is JDLBQKZPCWAWIC-FJZBNZSJSA-N. The full InChI is InChI=1S/C30H39N5O4.C23H35NO5/c1-5-8-9-13-16-34(4)28(37)25-18-23(35-32-27(31-33-35)21-14-11-10-12-15-21)17-24(25)26(36)20-30(19-22(30)6-2)29(38)39-7-3;1-5-8-9-10-11-24(4)21(27)19-13-17(25)12-18(19)20(26)15-23(14-16(23)6-2)22(28)29-7-3/h5-6,10-12,14-15,22-25H,1-2,7-9,13,16-20H2,3-4H3;5-6,16-19,25H,1-2,7-15H2,3-4H3/t22-,23-,24-,25-,30-;16-,17+,18-,19-,23-/m11/s1.

What are the key properties of trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4S)-2-[hex-5-enyl(methyl)carbamoyl]-4-hydroxycyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate;trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4R)-2-[hex-5-enyl(methyl)carbamoyl]-4-(5-phenyltetrazol-2-yl)cyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate?

trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4S)-2-[hex-5-enyl(methyl)carbamoyl]-4-hydroxycyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate;trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4R)-2-[hex-5-enyl(methyl)carbamoyl]-4-(5-phenyltetrazol-2-yl)cyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate has a molecular weight of 939.21 g/mol, XLogP of 7.34, 26 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4S)-2-[hex-5-enyl(methyl)carbamoyl]-4-hydroxycyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate;trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4R)-2-[hex-5-enyl(methyl)carbamoyl]-4-(5-phenyltetrazol-2-yl)cyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 158884462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).