2-[[5-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

C14H22N6O6 — CID 18223907

About 2-[[5-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

2-[[5-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid (PubChem CID 18223907) has the molecular formula C14H22N6O6 and a molecular weight of 370.37 g/mol. Its IUPAC name is 2-[[5-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid.

Molecular Properties

• Compound Name: 2-[[5-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
• PubChem CID: 18223907
• Molecular Formula: C14H22N6O6
• Molecular Weight: 370.37 g/mol
• Exact Mass: 370.16
• IUPAC Name: 2-[[5-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
• SMILES: NC(=O)CCC(NC(=O)C(N)CO)C(=O)NC(Cc1cnc[nH]1)C(=O)O
• InChI: InChI=1S/C14H22N6O6/c15-8(5-21)12(23)19-9(1-2-11(16)22)13(24)20-10(14(25)26)3-7-4-17-6-18-7/h4,6,8-10,21H,1-3,5,15H2,(H2,16,22)(H,17,18)(H,19,23)(H,20,24)(H,25,26)
• InChIKey: DGHFNYXVIXNNMC-UHFFFAOYSA-N
• XLogP: -3.41
• TPSA: 213.52 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	370.37
LogP ≤ 5	-3.41
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[5-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid?

The IUPAC name of 2-[[5-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid (CID 18223907) is 2-[[5-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid.

What is the SMILES notation for 2-[[5-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid?

The canonical SMILES for 2-[[5-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid is NC(=O)CCC(NC(=O)C(N)CO)C(=O)NC(Cc1cnc[nH]1)C(=O)O.

What is the InChIKey of 2-[[5-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid?

The InChIKey is DGHFNYXVIXNNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O6/c15-8(5-21)12(23)19-9(1-2-11(16)22)13(24)20-10(14(25)26)3-7-4-17-6-18-7/h4,6,8-10,21H,1-3,5,15H2,(H2,16,22)(H,17,18)(H,19,23)(H,20,24)(H,25,26).

What are the key properties of 2-[[5-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid?

2-[[5-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid has a molecular weight of 370.37 g/mol, XLogP of -3.41, 11 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid is sourced from PubChem (CID 18223907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).