lithium;(2S)-2-[[4-[[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid;hydride;N-propan-2-ylpropan-2-amine

C25H39LiN8O6 — CID 174802215

About lithium;(2S)-2-[[4-[[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid;hydride;N-propan-2-ylpropan-2-amine

lithium;(2S)-2-[[4-[[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid;hydride;N-propan-2-ylpropan-2-amine (PubChem CID 174802215) has the molecular formula C25H39LiN8O6 and a molecular weight of 554.58 g/mol. Its IUPAC name is lithium;(2S)-2-[[4-[[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid;hydride;N-propan-2-ylpropan-2-amine.

Molecular Properties

• Compound Name: lithium;(2S)-2-[[4-[[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid;hydride;N-propan-2-ylpropan-2-amine
• PubChem CID: 174802215
• Molecular Formula: C25H39LiN8O6
• Molecular Weight: 554.58 g/mol
• Exact Mass: 554.32
• IUPAC Name: lithium;(2S)-2-[[4-[[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid;hydride;N-propan-2-ylpropan-2-amine
• SMILES: CC(C)NC(C)C.Nc1nc2c(c(=O)[nH]1)N[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2.[H-].[Li+]
• InChI: InChI=1S/C19H23N7O6.C6H15N.Li.H/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28;1-5(2)7-6(3)4;;/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30);5-7H,1-4H3;;/q;;+1;-1/t11-,12+;;;/m1.../s1
• InChIKey: FFATUFPTRWLXGR-GDGSLZPISA-N
• XLogP: -1.77
• TPSA: 223.59 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.58
LogP ≤ 5	-1.77
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of lithium;(2S)-2-[[4-[[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid;hydride;N-propan-2-ylpropan-2-amine?

The IUPAC name of lithium;(2S)-2-[[4-[[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid;hydride;N-propan-2-ylpropan-2-amine (CID 174802215) is lithium;(2S)-2-[[4-[[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid;hydride;N-propan-2-ylpropan-2-amine.

What is the SMILES notation for lithium;(2S)-2-[[4-[[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid;hydride;N-propan-2-ylpropan-2-amine?

The canonical SMILES for lithium;(2S)-2-[[4-[[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid;hydride;N-propan-2-ylpropan-2-amine is CC(C)NC(C)C.Nc1nc2c(c(=O)[nH]1)N[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2.[H-].[Li+].

What is the InChIKey of lithium;(2S)-2-[[4-[[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid;hydride;N-propan-2-ylpropan-2-amine?

The InChIKey is FFATUFPTRWLXGR-GDGSLZPISA-N. The full InChI is InChI=1S/C19H23N7O6.C6H15N.Li.H/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28;1-5(2)7-6(3)4;;/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30);5-7H,1-4H3;;/q;;+1;-1/t11-,12+;;;/m1.../s1.

What are the key properties of lithium;(2S)-2-[[4-[[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid;hydride;N-propan-2-ylpropan-2-amine?

lithium;(2S)-2-[[4-[[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid;hydride;N-propan-2-ylpropan-2-amine has a molecular weight of 554.58 g/mol, XLogP of -1.77, 11 rotatable bonds, 9 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;(2S)-2-[[4-[[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid;hydride;N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 174802215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).