acetamide;2-[[[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylamino]-dihydroxy-λ4-sulfanyl]amino]-3-hydroxypropanoic acid

C10H22N6O8S — CID 145150709

About acetamide;2-[[[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylamino]-dihydroxy-λ4-sulfanyl]amino]-3-hydroxypropanoic acid

acetamide;2-[[[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylamino]-dihydroxy-λ4-sulfanyl]amino]-3-hydroxypropanoic acid (PubChem CID 145150709) has the molecular formula C10H22N6O8S and a molecular weight of 386.39 g/mol. Its IUPAC name is acetamide;2-[[[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylamino]-dihydroxy-λ4-sulfanyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

• Compound Name: acetamide;2-[[[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylamino]-dihydroxy-λ4-sulfanyl]amino]-3-hydroxypropanoic acid
• PubChem CID: 145150709
• Molecular Formula: C10H22N6O8S
• Molecular Weight: 386.39 g/mol
• Exact Mass: 386.12
• IUPAC Name: acetamide;2-[[[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylamino]-dihydroxy-λ4-sulfanyl]amino]-3-hydroxypropanoic acid
• SMILES: CC(N)=O.NC(CO)c1noc(CNS(O)(O)NC(CO)C(=O)O)n1
• InChI: InChI=1S/C8H17N5O7S.C2H5NO/c9-4(2-14)7-11-6(20-12-7)1-10-21(18,19)13-5(3-15)8(16)17;1-2(3)4/h4-5,10,13-15,18-19H,1-3,9H2,(H,16,17);1H3,(H2,3,4)
• InChIKey: ZWJLCQDQFHLUEY-UHFFFAOYSA-N
• XLogP: -2.74
• TPSA: 250.31 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	386.39
LogP ≤ 5	-2.74
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of acetamide;2-[[[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylamino]-dihydroxy-λ4-sulfanyl]amino]-3-hydroxypropanoic acid?

The IUPAC name of acetamide;2-[[[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylamino]-dihydroxy-λ4-sulfanyl]amino]-3-hydroxypropanoic acid (CID 145150709) is acetamide;2-[[[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylamino]-dihydroxy-λ4-sulfanyl]amino]-3-hydroxypropanoic acid.

What is the SMILES notation for acetamide;2-[[[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylamino]-dihydroxy-λ4-sulfanyl]amino]-3-hydroxypropanoic acid?

The canonical SMILES for acetamide;2-[[[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylamino]-dihydroxy-λ4-sulfanyl]amino]-3-hydroxypropanoic acid is CC(N)=O.NC(CO)c1noc(CNS(O)(O)NC(CO)C(=O)O)n1.

What is the InChIKey of acetamide;2-[[[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylamino]-dihydroxy-λ4-sulfanyl]amino]-3-hydroxypropanoic acid?

The InChIKey is ZWJLCQDQFHLUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O7S.C2H5NO/c9-4(2-14)7-11-6(20-12-7)1-10-21(18,19)13-5(3-15)8(16)17;1-2(3)4/h4-5,10,13-15,18-19H,1-3,9H2,(H,16,17);1H3,(H2,3,4).

What are the key properties of acetamide;2-[[[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylamino]-dihydroxy-λ4-sulfanyl]amino]-3-hydroxypropanoic acid?

acetamide;2-[[[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylamino]-dihydroxy-λ4-sulfanyl]amino]-3-hydroxypropanoic acid has a molecular weight of 386.39 g/mol, XLogP of -2.74, 9 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for acetamide;2-[[[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylamino]-dihydroxy-λ4-sulfanyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 145150709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).