2-[[2-[[2-[2-[(2-amino-3-methylbutanoyl)amino]propanoylamino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoic acid

C24H41N5O10 — CID 19967762

About 2-[[2-[[2-[2-[(2-amino-3-methylbutanoyl)amino]propanoylamino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoic acid

2-[[2-[[2-[2-[(2-amino-3-methylbutanoyl)amino]propanoylamino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoic acid (PubChem CID 19967762) has the molecular formula C24H41N5O10 and a molecular weight of 559.62 g/mol. Its IUPAC name is 2-[[2-[[2-[2-[(2-amino-3-methylbutanoyl)amino]propanoylamino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoic acid.

Molecular Properties

• Compound Name: 2-[[2-[[2-[2-[(2-amino-3-methylbutanoyl)amino]propanoylamino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoic acid
• PubChem CID: 19967762
• Molecular Formula: C24H41N5O10
• Molecular Weight: 559.62 g/mol
• Exact Mass: 559.29
• IUPAC Name: 2-[[2-[[2-[2-[(2-amino-3-methylbutanoyl)amino]propanoylamino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoic acid
• SMILES: CCC(C)C(NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(N)C(C)C)C(=O)O
• InChI: InChI=1S/C24H41N5O10/c1-6-12(4)19(24(38)39)29-22(36)15(8-10-17(32)33)28-21(35)14(7-9-16(30)31)27-20(34)13(5)26-23(37)18(25)11(2)3/h11-15,18-19H,6-10,25H2,1-5H3,(H,26,37)(H,27,34)(H,28,35)(H,29,36)(H,30,31)(H,32,33)(H,38,39)
• InChIKey: LYRIWMIKTOKRLT-UHFFFAOYSA-N
• XLogP: -1.21
• TPSA: 254.32 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 18
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.62
LogP ≤ 5	-1.21
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[2-[(2-amino-3-methylbutanoyl)amino]propanoylamino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoic acid?

The IUPAC name of 2-[[2-[[2-[2-[(2-amino-3-methylbutanoyl)amino]propanoylamino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoic acid (CID 19967762) is 2-[[2-[[2-[2-[(2-amino-3-methylbutanoyl)amino]propanoylamino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoic acid.

What is the SMILES notation for 2-[[2-[[2-[2-[(2-amino-3-methylbutanoyl)amino]propanoylamino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoic acid?

The canonical SMILES for 2-[[2-[[2-[2-[(2-amino-3-methylbutanoyl)amino]propanoylamino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoic acid is CCC(C)C(NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(N)C(C)C)C(=O)O.

What is the InChIKey of 2-[[2-[[2-[2-[(2-amino-3-methylbutanoyl)amino]propanoylamino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoic acid?

The InChIKey is LYRIWMIKTOKRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N5O10/c1-6-12(4)19(24(38)39)29-22(36)15(8-10-17(32)33)28-21(35)14(7-9-16(30)31)27-20(34)13(5)26-23(37)18(25)11(2)3/h11-15,18-19H,6-10,25H2,1-5H3,(H,26,37)(H,27,34)(H,28,35)(H,29,36)(H,30,31)(H,32,33)(H,38,39).

What are the key properties of 2-[[2-[[2-[2-[(2-amino-3-methylbutanoyl)amino]propanoylamino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoic acid?

2-[[2-[[2-[2-[(2-amino-3-methylbutanoyl)amino]propanoylamino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoic acid has a molecular weight of 559.62 g/mol, XLogP of -1.21, 18 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[2-[2-[(2-amino-3-methylbutanoyl)amino]propanoylamino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoic acid is sourced from PubChem (CID 19967762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).