N-(4-(((2,4-Diamino-6-pteridinyl)methyl)amino)benzoyl)glutamic acid

C19H20N8O5 — CID 2154

About N-(4-(((2,4-Diamino-6-pteridinyl)methyl)amino)benzoyl)glutamic acid

N-(4-(((2,4-Diamino-6-pteridinyl)methyl)amino)benzoyl)glutamic acid (PubChem CID 2154) has the molecular formula C19H20N8O5 and a molecular weight of 440.40 g/mol. Its IUPAC name is 2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid.

Molecular Properties

• Compound Name: N-(4-(((2,4-Diamino-6-pteridinyl)methyl)amino)benzoyl)glutamic acid
• PubChem CID: 2154
• Molecular Formula: C19H20N8O5
• Molecular Weight: 440.40 g/mol
• Exact Mass: 440.16
• IUPAC Name: 2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
• SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N
• InChIKey: TVZGACDUOSZQKY-UHFFFAOYSA-N
• XLogP: -2.00
• TPSA: 219.00 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: 674

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	440.40
LogP ≤ 5	-2.00
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12