ethyl 5-[[(4R)-3-[(1S)-1-hydroxyethyl]-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate

C20H28N2O6 — CID 134864707

About ethyl 5-[[(4R)-3-[(1S)-1-hydroxyethyl]-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate

ethyl 5-[[(4R)-3-[(1S)-1-hydroxyethyl]-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate (PubChem CID 134864707) has the molecular formula C20H28N2O6 and a molecular weight of 392.45 g/mol. Its IUPAC name is ethyl 5-[[(4R)-3-[(1S)-1-hydroxyethyl]-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-[[(4R)-3-[(1S)-1-hydroxyethyl]-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate
• PubChem CID: 134864707
• Molecular Formula: C20H28N2O6
• Molecular Weight: 392.45 g/mol
• Exact Mass: 392.19
• IUPAC Name: ethyl 5-[[(4R)-3-[(1S)-1-hydroxyethyl]-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate
• SMILES: CCOC(=O)c1[nH]c(C=C2NC(=O)[C@H](C)C2[C@H](C)O)c(C)c1CCC(=O)OC
• InChI: InChI=1S/C20H28N2O6/c1-6-28-20(26)18-13(7-8-16(24)27-5)10(2)14(21-18)9-15-17(12(4)23)11(3)19(25)22-15/h9,11-12,17,21,23H,6-8H2,1-5H3,(H,22,25)/t11-,12+,17?/m1/s1
• InChIKey: WIIPISWEBPWNTO-XGDHHHFCSA-N
• XLogP: 1.71
• TPSA: 117.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.45
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[(4R)-3-[(1S)-1-hydroxyethyl]-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate?

The IUPAC name of ethyl 5-[[(4R)-3-[(1S)-1-hydroxyethyl]-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate (CID 134864707) is ethyl 5-[[(4R)-3-[(1S)-1-hydroxyethyl]-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate.

What is the SMILES notation for ethyl 5-[[(4R)-3-[(1S)-1-hydroxyethyl]-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate?

The canonical SMILES for ethyl 5-[[(4R)-3-[(1S)-1-hydroxyethyl]-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]c(C=C2NC(=O)[C@H](C)C2[C@H](C)O)c(C)c1CCC(=O)OC.

What is the InChIKey of ethyl 5-[[(4R)-3-[(1S)-1-hydroxyethyl]-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate?

The InChIKey is WIIPISWEBPWNTO-XGDHHHFCSA-N. The full InChI is InChI=1S/C20H28N2O6/c1-6-28-20(26)18-13(7-8-16(24)27-5)10(2)14(21-18)9-15-17(12(4)23)11(3)19(25)22-15/h9,11-12,17,21,23H,6-8H2,1-5H3,(H,22,25)/t11-,12+,17?/m1/s1.

What are the key properties of ethyl 5-[[(4R)-3-[(1S)-1-hydroxyethyl]-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate?

ethyl 5-[[(4R)-3-[(1S)-1-hydroxyethyl]-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate has a molecular weight of 392.45 g/mol, XLogP of 1.71, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-[[(4R)-3-[(1S)-1-hydroxyethyl]-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 134864707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).