(5S)-N-[4-chloro-2-[[4-(methylamino)-1-[(3S,5R)-5-methyl-2-oxopyrrolidin-3-yl]-3,4-dioxobutan-2-yl]carbamoyl]phenyl]-3-methyl-2-oxo-1,3-oxazolidine-5-carboxamide

C22H26ClN5O7 — CID 174715642

About (5S)-N-[4-chloro-2-[[4-(methylamino)-1-[(3S,5R)-5-methyl-2-oxopyrrolidin-3-yl]-3,4-dioxobutan-2-yl]carbamoyl]phenyl]-3-methyl-2-oxo-1,3-oxazolidine-5-carboxamide

(5S)-N-[4-chloro-2-[[4-(methylamino)-1-[(3S,5R)-5-methyl-2-oxopyrrolidin-3-yl]-3,4-dioxobutan-2-yl]carbamoyl]phenyl]-3-methyl-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 174715642) has the molecular formula C22H26ClN5O7 and a molecular weight of 507.93 g/mol. Its IUPAC name is (5S)-N-[4-chloro-2-[[4-(methylamino)-1-[(3S,5R)-5-methyl-2-oxopyrrolidin-3-yl]-3,4-dioxobutan-2-yl]carbamoyl]phenyl]-3-methyl-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

• Compound Name: (5S)-N-[4-chloro-2-[[4-(methylamino)-1-[(3S,5R)-5-methyl-2-oxopyrrolidin-3-yl]-3,4-dioxobutan-2-yl]carbamoyl]phenyl]-3-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
• PubChem CID: 174715642
• Molecular Formula: C22H26ClN5O7
• Molecular Weight: 507.93 g/mol
• Exact Mass: 507.15
• IUPAC Name: (5S)-N-[4-chloro-2-[[4-(methylamino)-1-[(3S,5R)-5-methyl-2-oxopyrrolidin-3-yl]-3,4-dioxobutan-2-yl]carbamoyl]phenyl]-3-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
• SMILES: CNC(=O)C(=O)C(C[C@@H]1C[C@@H](C)NC1=O)NC(=O)c1cc(Cl)ccc1NC(=O)[C@@H]1CN(C)C(=O)O1
• InChI: InChI=1S/C22H26ClN5O7/c1-10-6-11(18(30)25-10)7-15(17(29)21(33)24-2)27-19(31)13-8-12(23)4-5-14(13)26-20(32)16-9-28(3)22(34)35-16/h4-5,8,10-11,15-16H,6-7,9H2,1-3H3,(H,24,33)(H,25,30)(H,26,32)(H,27,31)/t10-,11+,15?,16+/m1/s1
• InChIKey: UPORTQICFVYDTE-IDEYCDSKSA-N
• XLogP: 0.06
• TPSA: 163.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.93
LogP ≤ 5	0.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[4-chloro-2-[[4-(methylamino)-1-[(3S,5R)-5-methyl-2-oxopyrrolidin-3-yl]-3,4-dioxobutan-2-yl]carbamoyl]phenyl]-3-methyl-2-oxo-1,3-oxazolidine-5-carboxamide?

The IUPAC name of (5S)-N-[4-chloro-2-[[4-(methylamino)-1-[(3S,5R)-5-methyl-2-oxopyrrolidin-3-yl]-3,4-dioxobutan-2-yl]carbamoyl]phenyl]-3-methyl-2-oxo-1,3-oxazolidine-5-carboxamide (CID 174715642) is (5S)-N-[4-chloro-2-[[4-(methylamino)-1-[(3S,5R)-5-methyl-2-oxopyrrolidin-3-yl]-3,4-dioxobutan-2-yl]carbamoyl]phenyl]-3-methyl-2-oxo-1,3-oxazolidine-5-carboxamide.

What is the SMILES notation for (5S)-N-[4-chloro-2-[[4-(methylamino)-1-[(3S,5R)-5-methyl-2-oxopyrrolidin-3-yl]-3,4-dioxobutan-2-yl]carbamoyl]phenyl]-3-methyl-2-oxo-1,3-oxazolidine-5-carboxamide?

The canonical SMILES for (5S)-N-[4-chloro-2-[[4-(methylamino)-1-[(3S,5R)-5-methyl-2-oxopyrrolidin-3-yl]-3,4-dioxobutan-2-yl]carbamoyl]phenyl]-3-methyl-2-oxo-1,3-oxazolidine-5-carboxamide is CNC(=O)C(=O)C(C[C@@H]1C[C@@H](C)NC1=O)NC(=O)c1cc(Cl)ccc1NC(=O)[C@@H]1CN(C)C(=O)O1.

What is the InChIKey of (5S)-N-[4-chloro-2-[[4-(methylamino)-1-[(3S,5R)-5-methyl-2-oxopyrrolidin-3-yl]-3,4-dioxobutan-2-yl]carbamoyl]phenyl]-3-methyl-2-oxo-1,3-oxazolidine-5-carboxamide?

The InChIKey is UPORTQICFVYDTE-IDEYCDSKSA-N. The full InChI is InChI=1S/C22H26ClN5O7/c1-10-6-11(18(30)25-10)7-15(17(29)21(33)24-2)27-19(31)13-8-12(23)4-5-14(13)26-20(32)16-9-28(3)22(34)35-16/h4-5,8,10-11,15-16H,6-7,9H2,1-3H3,(H,24,33)(H,25,30)(H,26,32)(H,27,31)/t10-,11+,15?,16+/m1/s1.

What are the key properties of (5S)-N-[4-chloro-2-[[4-(methylamino)-1-[(3S,5R)-5-methyl-2-oxopyrrolidin-3-yl]-3,4-dioxobutan-2-yl]carbamoyl]phenyl]-3-methyl-2-oxo-1,3-oxazolidine-5-carboxamide?

(5S)-N-[4-chloro-2-[[4-(methylamino)-1-[(3S,5R)-5-methyl-2-oxopyrrolidin-3-yl]-3,4-dioxobutan-2-yl]carbamoyl]phenyl]-3-methyl-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 507.93 g/mol, XLogP of 0.06, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-N-[4-chloro-2-[[4-(methylamino)-1-[(3S,5R)-5-methyl-2-oxopyrrolidin-3-yl]-3,4-dioxobutan-2-yl]carbamoyl]phenyl]-3-methyl-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 174715642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).