formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-quinolin-5-ylpyrrolidine-2-carboxamide

C24H33N5O5 — CID 25241665

About formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-quinolin-5-ylpyrrolidine-2-carboxamide

formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-quinolin-5-ylpyrrolidine-2-carboxamide (PubChem CID 25241665) has the molecular formula C24H33N5O5 and a molecular weight of 471.56 g/mol. Its IUPAC name is formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-quinolin-5-ylpyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-quinolin-5-ylpyrrolidine-2-carboxamide
• PubChem CID: 25241665
• Molecular Formula: C24H33N5O5
• Molecular Weight: 471.56 g/mol
• Exact Mass: 471.25
• IUPAC Name: formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-quinolin-5-ylpyrrolidine-2-carboxamide
• SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cccc2ncccc12)C(C)C.O=CO
• InChI: InChI=1S/C23H31N5O3.CH2O2/c1-14(2)20(27-21(29)15(3)24-4)23(31)28-13-7-11-19(28)22(30)26-18-10-5-9-17-16(18)8-6-12-25-17;2-1-3/h5-6,8-10,12,14-15,19-20,24H,7,11,13H2,1-4H3,(H,26,30)(H,27,29);1H,(H,2,3)/t15-,19-,20-;/m0./s1
• InChIKey: YSZBMHHAPPTTJG-ZAFWUOJLSA-N
• XLogP: 1.61
• TPSA: 140.73 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.56
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-quinolin-5-ylpyrrolidine-2-carboxamide?

The IUPAC name of formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-quinolin-5-ylpyrrolidine-2-carboxamide (CID 25241665) is formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-quinolin-5-ylpyrrolidine-2-carboxamide.

What is the SMILES notation for formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-quinolin-5-ylpyrrolidine-2-carboxamide?

The canonical SMILES for formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-quinolin-5-ylpyrrolidine-2-carboxamide is CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cccc2ncccc12)C(C)C.O=CO.

What is the InChIKey of formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-quinolin-5-ylpyrrolidine-2-carboxamide?

The InChIKey is YSZBMHHAPPTTJG-ZAFWUOJLSA-N. The full InChI is InChI=1S/C23H31N5O3.CH2O2/c1-14(2)20(27-21(29)15(3)24-4)23(31)28-13-7-11-19(28)22(30)26-18-10-5-9-17-16(18)8-6-12-25-17;2-1-3/h5-6,8-10,12,14-15,19-20,24H,7,11,13H2,1-4H3,(H,26,30)(H,27,29);1H,(H,2,3)/t15-,19-,20-;/m0./s1.

What are the key properties of formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-quinolin-5-ylpyrrolidine-2-carboxamide?

formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-quinolin-5-ylpyrrolidine-2-carboxamide has a molecular weight of 471.56 g/mol, XLogP of 1.61, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-quinolin-5-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 25241665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).