2-[[2-[[5-amino-2-[[2-[[(4R)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]acetic acid

C20H34N6O8 — CID 146561151

About 2-[[2-[[5-amino-2-[[2-[[(4R)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]acetic acid

2-[[2-[[5-amino-2-[[2-[[(4R)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]acetic acid (PubChem CID 146561151) has the molecular formula C20H34N6O8 and a molecular weight of 486.53 g/mol. Its IUPAC name is 2-[[2-[[5-amino-2-[[2-[[(4R)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[[2-[[5-amino-2-[[2-[[(4R)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]acetic acid
• PubChem CID: 146561151
• Molecular Formula: C20H34N6O8
• Molecular Weight: 486.53 g/mol
• Exact Mass: 486.24
• IUPAC Name: 2-[[2-[[5-amino-2-[[2-[[(4R)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]acetic acid
• SMILES: CC(C)CC(NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C1C[C@@H](O)CN1)C(=O)NCC(=O)O
• InChI: InChI=1S/C20H34N6O8/c1-10(2)5-14(19(33)24-9-17(30)31)26-20(34)12(3-4-15(21)28)25-16(29)8-23-18(32)13-6-11(27)7-22-13/h10-14,22,27H,3-9H2,1-2H3,(H2,21,28)(H,23,32)(H,24,33)(H,25,29)(H,26,34)(H,30,31)/t11-,12?,13?,14?/m1/s1
• InChIKey: XBSRZZAHVGDZGG-NTXGFPLRSA-N
• XLogP: -3.69
• TPSA: 229.05 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.53
LogP ≤ 5	-3.69
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[5-amino-2-[[2-[[(4R)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]acetic acid?

The IUPAC name of 2-[[2-[[5-amino-2-[[2-[[(4R)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]acetic acid (CID 146561151) is 2-[[2-[[5-amino-2-[[2-[[(4R)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]acetic acid.

What is the SMILES notation for 2-[[2-[[5-amino-2-[[2-[[(4R)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]acetic acid?

The canonical SMILES for 2-[[2-[[5-amino-2-[[2-[[(4R)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]acetic acid is CC(C)CC(NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C1C[C@@H](O)CN1)C(=O)NCC(=O)O.

What is the InChIKey of 2-[[2-[[5-amino-2-[[2-[[(4R)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]acetic acid?

The InChIKey is XBSRZZAHVGDZGG-NTXGFPLRSA-N. The full InChI is InChI=1S/C20H34N6O8/c1-10(2)5-14(19(33)24-9-17(30)31)26-20(34)12(3-4-15(21)28)25-16(29)8-23-18(32)13-6-11(27)7-22-13/h10-14,22,27H,3-9H2,1-2H3,(H2,21,28)(H,23,32)(H,24,33)(H,25,29)(H,26,34)(H,30,31)/t11-,12?,13?,14?/m1/s1.

What are the key properties of 2-[[2-[[5-amino-2-[[2-[[(4R)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]acetic acid?

2-[[2-[[5-amino-2-[[2-[[(4R)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]acetic acid has a molecular weight of 486.53 g/mol, XLogP of -3.69, 14 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[5-amino-2-[[2-[[(4R)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]acetic acid is sourced from PubChem (CID 146561151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).