[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate

C17H23N3O6 — CID 7579798

About [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate

[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 7579798) has the molecular formula C17H23N3O6 and a molecular weight of 365.39 g/mol. Its IUPAC name is [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

• Compound Name: [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
• PubChem CID: 7579798
• Molecular Formula: C17H23N3O6
• Molecular Weight: 365.39 g/mol
• Exact Mass: 365.16
• IUPAC Name: [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
• SMILES: CC[C@@H](C)NC(=O)NC(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1
• InChI: InChI=1S/C17H23N3O6/c1-3-11(2)18-17(24)19-14(21)10-26-16(23)12-7-15(22)20(8-12)9-13-5-4-6-25-13/h4-6,11-12H,3,7-10H2,1-2H3,(H2,18,19,21,24)/t11-,12+/m1/s1
• InChIKey: HKQHOPJTHDYLCS-NEPJUHHUSA-N
• XLogP: 0.80
• TPSA: 117.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.39
LogP ≤ 5	0.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?

The IUPAC name of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate (CID 7579798) is [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate.

What is the SMILES notation for [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?

The canonical SMILES for [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate is CC[C@@H](C)NC(=O)NC(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1.

What is the InChIKey of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?

The InChIKey is HKQHOPJTHDYLCS-NEPJUHHUSA-N. The full InChI is InChI=1S/C17H23N3O6/c1-3-11(2)18-17(24)19-14(21)10-26-16(23)12-7-15(22)20(8-12)9-13-5-4-6-25-13/h4-6,11-12H,3,7-10H2,1-2H3,(H2,18,19,21,24)/t11-,12+/m1/s1.

What are the key properties of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?

[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 365.39 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 7579798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).