N-[1-[4-(2-amino-3-methylpentanoyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide

C29H43N5O5 — CID 68888994

About N-[1-[4-(2-amino-3-methylpentanoyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide

N-[1-[4-(2-amino-3-methylpentanoyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide (PubChem CID 68888994) has the molecular formula C29H43N5O5 and a molecular weight of 541.69 g/mol. Its IUPAC name is N-[1-[4-(2-amino-3-methylpentanoyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide.

Molecular Properties

• Compound Name: N-[1-[4-(2-amino-3-methylpentanoyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide
• PubChem CID: 68888994
• Molecular Formula: C29H43N5O5
• Molecular Weight: 541.69 g/mol
• Exact Mass: 541.33
• IUPAC Name: N-[1-[4-(2-amino-3-methylpentanoyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide
• SMILES: CCC(C)C(N)C(=O)N1CC(=O)C2C1CCN2C(=O)C(CC(C)C)NC(=O)c1ccc(N2CCOCC2)cc1
• InChI: InChI=1S/C29H43N5O5/c1-5-19(4)25(30)29(38)34-17-24(35)26-23(34)10-11-33(26)28(37)22(16-18(2)3)31-27(36)20-6-8-21(9-7-20)32-12-14-39-15-13-32/h6-9,18-19,22-23,25-26H,5,10-17,30H2,1-4H3,(H,31,36)
• InChIKey: DJZMJXUKYANGAK-UHFFFAOYSA-N
• XLogP: 1.42
• TPSA: 125.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.69
LogP ≤ 5	1.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-amino-3-methylpentanoyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide?

The IUPAC name of N-[1-[4-(2-amino-3-methylpentanoyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide (CID 68888994) is N-[1-[4-(2-amino-3-methylpentanoyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide.

What is the SMILES notation for N-[1-[4-(2-amino-3-methylpentanoyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide?

The canonical SMILES for N-[1-[4-(2-amino-3-methylpentanoyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide is CCC(C)C(N)C(=O)N1CC(=O)C2C1CCN2C(=O)C(CC(C)C)NC(=O)c1ccc(N2CCOCC2)cc1.

What is the InChIKey of N-[1-[4-(2-amino-3-methylpentanoyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide?

The InChIKey is DJZMJXUKYANGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N5O5/c1-5-19(4)25(30)29(38)34-17-24(35)26-23(34)10-11-33(26)28(37)22(16-18(2)3)31-27(36)20-6-8-21(9-7-20)32-12-14-39-15-13-32/h6-9,18-19,22-23,25-26H,5,10-17,30H2,1-4H3,(H,31,36).

What are the key properties of N-[1-[4-(2-amino-3-methylpentanoyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide?

N-[1-[4-(2-amino-3-methylpentanoyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide has a molecular weight of 541.69 g/mol, XLogP of 1.42, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-(2-amino-3-methylpentanoyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 68888994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).