2-[1-[5-(1-amino-2-hydroxypropyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxypropanoic acid

C11H19N5O6 — CID 123718856

About 2-[1-[5-(1-amino-2-hydroxypropyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxypropanoic acid

2-[1-[5-(1-amino-2-hydroxypropyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxypropanoic acid (PubChem CID 123718856) has the molecular formula C11H19N5O6 and a molecular weight of 317.30 g/mol. Its IUPAC name is 2-[1-[5-(1-amino-2-hydroxypropyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxypropanoic acid.

Molecular Properties

• Compound Name: 2-[1-[5-(1-amino-2-hydroxypropyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxypropanoic acid
• PubChem CID: 123718856
• Molecular Formula: C11H19N5O6
• Molecular Weight: 317.30 g/mol
• Exact Mass: 317.13
• IUPAC Name: 2-[1-[5-(1-amino-2-hydroxypropyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxypropanoic acid
• SMILES: CC(NC(=O)NC(CO)C(=O)O)c1nnc(C(N)C(C)O)o1
• InChI: InChI=1S/C11H19N5O6/c1-4(13-11(21)14-6(3-17)10(19)20)8-15-16-9(22-8)7(12)5(2)18/h4-7,17-18H,3,12H2,1-2H3,(H,19,20)(H2,13,14,21)
• InChIKey: GRERDNXGXUPAHI-UHFFFAOYSA-N
• XLogP: -1.74
• TPSA: 183.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	317.30
LogP ≤ 5	-1.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(1-amino-2-hydroxypropyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxypropanoic acid?

The IUPAC name of 2-[1-[5-(1-amino-2-hydroxypropyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxypropanoic acid (CID 123718856) is 2-[1-[5-(1-amino-2-hydroxypropyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxypropanoic acid.

What is the SMILES notation for 2-[1-[5-(1-amino-2-hydroxypropyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxypropanoic acid?

The canonical SMILES for 2-[1-[5-(1-amino-2-hydroxypropyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxypropanoic acid is CC(NC(=O)NC(CO)C(=O)O)c1nnc(C(N)C(C)O)o1.

What is the InChIKey of 2-[1-[5-(1-amino-2-hydroxypropyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxypropanoic acid?

The InChIKey is GRERDNXGXUPAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O6/c1-4(13-11(21)14-6(3-17)10(19)20)8-15-16-9(22-8)7(12)5(2)18/h4-7,17-18H,3,12H2,1-2H3,(H,19,20)(H2,13,14,21).

What are the key properties of 2-[1-[5-(1-amino-2-hydroxypropyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxypropanoic acid?

2-[1-[5-(1-amino-2-hydroxypropyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxypropanoic acid has a molecular weight of 317.30 g/mol, XLogP of -1.74, 7 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[5-(1-amino-2-hydroxypropyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 123718856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).