5-[[1-[(3-amino-1-carboxy-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[(2-amino-3-hydroxybutanoyl)amino]-5-oxopentanoic acid

C19H33N5O9 — CID 18747294

About 5-[[1-[(3-amino-1-carboxy-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[(2-amino-3-hydroxybutanoyl)amino]-5-oxopentanoic acid

5-[[1-[(3-amino-1-carboxy-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[(2-amino-3-hydroxybutanoyl)amino]-5-oxopentanoic acid (PubChem CID 18747294) has the molecular formula C19H33N5O9 and a molecular weight of 475.50 g/mol. Its IUPAC name is 5-[[1-[(3-amino-1-carboxy-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[(2-amino-3-hydroxybutanoyl)amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: 5-[[1-[(3-amino-1-carboxy-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[(2-amino-3-hydroxybutanoyl)amino]-5-oxopentanoic acid
• PubChem CID: 18747294
• Molecular Formula: C19H33N5O9
• Molecular Weight: 475.50 g/mol
• Exact Mass: 475.23
• IUPAC Name: 5-[[1-[(3-amino-1-carboxy-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[(2-amino-3-hydroxybutanoyl)amino]-5-oxopentanoic acid
• SMILES: CC(C)CC(NC(=O)C(CCC(=O)O)NC(=O)C(N)C(C)O)C(=O)NC(CC(N)=O)C(=O)O
• InChI: InChI=1S/C19H33N5O9/c1-8(2)6-11(17(30)24-12(19(32)33)7-13(20)26)23-16(29)10(4-5-14(27)28)22-18(31)15(21)9(3)25/h8-12,15,25H,4-7,21H2,1-3H3,(H2,20,26)(H,22,31)(H,23,29)(H,24,30)(H,27,28)(H,32,33)
• InChIKey: PXRHDSTUDGZJBN-UHFFFAOYSA-N
• XLogP: -2.98
• TPSA: 251.24 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.50
LogP ≤ 5	-2.98
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[(3-amino-1-carboxy-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[(2-amino-3-hydroxybutanoyl)amino]-5-oxopentanoic acid?

The IUPAC name of 5-[[1-[(3-amino-1-carboxy-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[(2-amino-3-hydroxybutanoyl)amino]-5-oxopentanoic acid (CID 18747294) is 5-[[1-[(3-amino-1-carboxy-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[(2-amino-3-hydroxybutanoyl)amino]-5-oxopentanoic acid.

What is the SMILES notation for 5-[[1-[(3-amino-1-carboxy-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[(2-amino-3-hydroxybutanoyl)amino]-5-oxopentanoic acid?

The canonical SMILES for 5-[[1-[(3-amino-1-carboxy-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[(2-amino-3-hydroxybutanoyl)amino]-5-oxopentanoic acid is CC(C)CC(NC(=O)C(CCC(=O)O)NC(=O)C(N)C(C)O)C(=O)NC(CC(N)=O)C(=O)O.

What is the InChIKey of 5-[[1-[(3-amino-1-carboxy-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[(2-amino-3-hydroxybutanoyl)amino]-5-oxopentanoic acid?

The InChIKey is PXRHDSTUDGZJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O9/c1-8(2)6-11(17(30)24-12(19(32)33)7-13(20)26)23-16(29)10(4-5-14(27)28)22-18(31)15(21)9(3)25/h8-12,15,25H,4-7,21H2,1-3H3,(H2,20,26)(H,22,31)(H,23,29)(H,24,30)(H,27,28)(H,32,33).

What are the key properties of 5-[[1-[(3-amino-1-carboxy-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[(2-amino-3-hydroxybutanoyl)amino]-5-oxopentanoic acid?

5-[[1-[(3-amino-1-carboxy-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[(2-amino-3-hydroxybutanoyl)amino]-5-oxopentanoic acid has a molecular weight of 475.50 g/mol, XLogP of -2.98, 15 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-[(3-amino-1-carboxy-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[(2-amino-3-hydroxybutanoyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 18747294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).