N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(2,5-dioxopyrrol-1-yl)propanamide

C11H16N2O5 — CID 129224255

IUPACN-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCC(CO)(CO)NC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O5/c1-11(6-14,7-15)12-8(16)4-5-13-9(17)2-3-10(13)18/h2-3,14-15H,4-7H2,1H3,(H,12,16)
InChIKeyYGMHXCAQDUBYNZ-UHFFFAOYSA-N
MW256.26 g/mol
LogP-1.84
Rot. Bonds6

About N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(2,5-dioxopyrrol-1-yl)propanamide

N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 129224255) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID129224255
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCC(CO)(CO)NC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O5/c1-11(6-14,7-15)12-8(16)4-5-13-9(17)2-3-10(13)18/h2-3,14-15H,4-7H2,1H3,(H,12,16)
InChIKeyYGMHXCAQDUBYNZ-UHFFFAOYSA-N
XLogP-1.84
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(2,5-dioxopyrrol-1-yl)propanamide (CID 129224255) is N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(2,5-dioxopyrrol-1-yl)propanamide is CC(CO)(CO)NC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is YGMHXCAQDUBYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-11(6-14,7-15)12-8(16)4-5-13-9(17)2-3-10(13)18/h2-3,14-15H,4-7H2,1H3,(H,12,16).
What are the key properties of N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(2,5-dioxopyrrol-1-yl)propanamide?
N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 256.26 g/mol, XLogP of -1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 129224255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).