[4-[[(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid

C23H24N4O7 — CID 67221876

About [4-[[(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid

[4-[[(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid (PubChem CID 67221876) has the molecular formula C23H24N4O7 and a molecular weight of 468.47 g/mol. Its IUPAC name is [4-[[(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid.

Molecular Properties

• Compound Name: [4-[[(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid
• PubChem CID: 67221876
• Molecular Formula: C23H24N4O7
• Molecular Weight: 468.47 g/mol
• Exact Mass: 468.16
• IUPAC Name: [4-[[(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid
• SMILES: CN1Cc2cc(N3CCO[C@H]([C@@H](O)C(=O)Nc4ccc(CNC(=O)O)cc4)C3=O)ccc2C1=O
• InChI: InChI=1S/C23H24N4O7/c1-26-12-14-10-16(6-7-17(14)21(26)30)27-8-9-34-19(22(27)31)18(28)20(29)25-15-4-2-13(3-5-15)11-24-23(32)33/h2-7,10,18-19,24,28H,8-9,11-12H2,1H3,(H,25,29)(H,32,33)/t18-,19-/m1/s1
• InChIKey: HKVWLUMOBMJGSQ-RTBURBONSA-N
• XLogP: 0.77
• TPSA: 148.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.47
LogP ≤ 5	0.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [4-[[(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid?

The IUPAC name of [4-[[(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid (CID 67221876) is [4-[[(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid.

What is the SMILES notation for [4-[[(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid?

The canonical SMILES for [4-[[(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid is CN1Cc2cc(N3CCO[C@H]([C@@H](O)C(=O)Nc4ccc(CNC(=O)O)cc4)C3=O)ccc2C1=O.

What is the InChIKey of [4-[[(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid?

The InChIKey is HKVWLUMOBMJGSQ-RTBURBONSA-N. The full InChI is InChI=1S/C23H24N4O7/c1-26-12-14-10-16(6-7-17(14)21(26)30)27-8-9-34-19(22(27)31)18(28)20(29)25-15-4-2-13(3-5-15)11-24-23(32)33/h2-7,10,18-19,24,28H,8-9,11-12H2,1H3,(H,25,29)(H,32,33)/t18-,19-/m1/s1.

What are the key properties of [4-[[(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid?

[4-[[(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid has a molecular weight of 468.47 g/mol, XLogP of 0.77, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid is sourced from PubChem (CID 67221876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).