2-amino-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanediamide;2-[2-(propanoylamino)propanoylamino]propanamide

C26H47N7O11 — CID 91252215

About 2-amino-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanediamide;2-[2-(propanoylamino)propanoylamino]propanamide

2-amino-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanediamide;2-[2-(propanoylamino)propanoylamino]propanamide (PubChem CID 91252215) has the molecular formula C26H47N7O11 and a molecular weight of 633.70 g/mol. Its IUPAC name is 2-amino-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanediamide;2-[2-(propanoylamino)propanoylamino]propanamide.

Molecular Properties

• Compound Name: 2-amino-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanediamide;2-[2-(propanoylamino)propanoylamino]propanamide
• PubChem CID: 91252215
• Molecular Formula: C26H47N7O11
• Molecular Weight: 633.70 g/mol
• Exact Mass: 633.33
• IUPAC Name: 2-amino-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanediamide;2-[2-(propanoylamino)propanoylamino]propanamide
• SMILES: CC(NC(=O)C(N)CC(=O)NC1OC(CO)C(O)C(O)C1O)C(=O)N1CCCC1.CCC(=O)NC(C)C(=O)NC(C)C(N)=O
• InChI: InChI=1S/C17H30N4O8.C9H17N3O3/c1-8(17(28)21-4-2-3-5-21)19-15(27)9(18)6-11(23)20-16-14(26)13(25)12(24)10(7-22)29-16;1-4-7(13)11-6(3)9(15)12-5(2)8(10)14/h8-10,12-14,16,22,24-26H,2-7,18H2,1H3,(H,19,27)(H,20,23);5-6H,4H2,1-3H3,(H2,10,14)(H,11,13)(H,12,15)
• InChIKey: QDEKWKWIZGOCAH-UHFFFAOYSA-N
• XLogP: -5.36
• TPSA: 295.97 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	633.70
LogP ≤ 5	-5.36
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanediamide;2-[2-(propanoylamino)propanoylamino]propanamide?

The IUPAC name of 2-amino-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanediamide;2-[2-(propanoylamino)propanoylamino]propanamide (CID 91252215) is 2-amino-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanediamide;2-[2-(propanoylamino)propanoylamino]propanamide.

What is the SMILES notation for 2-amino-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanediamide;2-[2-(propanoylamino)propanoylamino]propanamide?

The canonical SMILES for 2-amino-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanediamide;2-[2-(propanoylamino)propanoylamino]propanamide is CC(NC(=O)C(N)CC(=O)NC1OC(CO)C(O)C(O)C1O)C(=O)N1CCCC1.CCC(=O)NC(C)C(=O)NC(C)C(N)=O.

What is the InChIKey of 2-amino-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanediamide;2-[2-(propanoylamino)propanoylamino]propanamide?

The InChIKey is QDEKWKWIZGOCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O8.C9H17N3O3/c1-8(17(28)21-4-2-3-5-21)19-15(27)9(18)6-11(23)20-16-14(26)13(25)12(24)10(7-22)29-16;1-4-7(13)11-6(3)9(15)12-5(2)8(10)14/h8-10,12-14,16,22,24-26H,2-7,18H2,1H3,(H,19,27)(H,20,23);5-6H,4H2,1-3H3,(H2,10,14)(H,11,13)(H,12,15).

What are the key properties of 2-amino-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanediamide;2-[2-(propanoylamino)propanoylamino]propanamide?

2-amino-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanediamide;2-[2-(propanoylamino)propanoylamino]propanamide has a molecular weight of 633.70 g/mol, XLogP of -5.36, 12 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanediamide;2-[2-(propanoylamino)propanoylamino]propanamide is sourced from PubChem (CID 91252215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).