5-amino-2-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxybutanoyl]amino]propanoylamino]-5-oxopentanoic acid

C15H27N5O8 — CID 18743506

About 5-amino-2-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxybutanoyl]amino]propanoylamino]-5-oxopentanoic acid

5-amino-2-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxybutanoyl]amino]propanoylamino]-5-oxopentanoic acid (PubChem CID 18743506) has the molecular formula C15H27N5O8 and a molecular weight of 405.41 g/mol. Its IUPAC name is 5-amino-2-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxybutanoyl]amino]propanoylamino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: 5-amino-2-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxybutanoyl]amino]propanoylamino]-5-oxopentanoic acid
• PubChem CID: 18743506
• Molecular Formula: C15H27N5O8
• Molecular Weight: 405.41 g/mol
• Exact Mass: 405.19
• IUPAC Name: 5-amino-2-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxybutanoyl]amino]propanoylamino]-5-oxopentanoic acid
• SMILES: CC(NC(=O)C(NC(=O)C(N)CO)C(C)O)C(=O)NC(CCC(N)=O)C(=O)O
• InChI: InChI=1S/C15H27N5O8/c1-6(12(24)19-9(15(27)28)3-4-10(17)23)18-14(26)11(7(2)22)20-13(25)8(16)5-21/h6-9,11,21-22H,3-5,16H2,1-2H3,(H2,17,23)(H,18,26)(H,19,24)(H,20,25)(H,27,28)
• InChIKey: VCJIXYJKPDZWRI-UHFFFAOYSA-N
• XLogP: -4.49
• TPSA: 234.17 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	405.41
LogP ≤ 5	-4.49
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxybutanoyl]amino]propanoylamino]-5-oxopentanoic acid?

The IUPAC name of 5-amino-2-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxybutanoyl]amino]propanoylamino]-5-oxopentanoic acid (CID 18743506) is 5-amino-2-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxybutanoyl]amino]propanoylamino]-5-oxopentanoic acid.

What is the SMILES notation for 5-amino-2-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxybutanoyl]amino]propanoylamino]-5-oxopentanoic acid?

The canonical SMILES for 5-amino-2-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxybutanoyl]amino]propanoylamino]-5-oxopentanoic acid is CC(NC(=O)C(NC(=O)C(N)CO)C(C)O)C(=O)NC(CCC(N)=O)C(=O)O.

What is the InChIKey of 5-amino-2-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxybutanoyl]amino]propanoylamino]-5-oxopentanoic acid?

The InChIKey is VCJIXYJKPDZWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O8/c1-6(12(24)19-9(15(27)28)3-4-10(17)23)18-14(26)11(7(2)22)20-13(25)8(16)5-21/h6-9,11,21-22H,3-5,16H2,1-2H3,(H2,17,23)(H,18,26)(H,19,24)(H,20,25)(H,27,28).

What are the key properties of 5-amino-2-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxybutanoyl]amino]propanoylamino]-5-oxopentanoic acid?

5-amino-2-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxybutanoyl]amino]propanoylamino]-5-oxopentanoic acid has a molecular weight of 405.41 g/mol, XLogP of -4.49, 12 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-2-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxybutanoyl]amino]propanoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 18743506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).