N-(2,3-dihydroxy-2-methylpropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide

C11H18N2O5 — CID 66169212

IUPACN-(2,3-dihydroxy-2-methylpropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCC(O)(CO)CNC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C11H18N2O5/c1-11(18,7-14)6-12-8(15)4-5-13-9(16)2-3-10(13)17/h14,18H,2-7H2,1H3,(H,12,15)
InChIKeyPJULCPGVJKJLHM-UHFFFAOYSA-N
MW258.27 g/mol
LogP-1.62
Rot. Bonds6

About N-(2,3-dihydroxy-2-methylpropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide

N-(2,3-dihydroxy-2-methylpropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 66169212) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID66169212
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCC(O)(CO)CNC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C11H18N2O5/c1-11(18,7-14)6-12-8(15)4-5-13-9(16)2-3-10(13)17/h14,18H,2-7H2,1H3,(H,12,15)
InChIKeyPJULCPGVJKJLHM-UHFFFAOYSA-N
XLogP-1.62
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-1.62
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-(2,3-dihydroxy-2-methylpropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide (CID 66169212) is N-(2,3-dihydroxy-2-methylpropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide is CC(O)(CO)CNC(=O)CCN1C(=O)CCC1=O.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is PJULCPGVJKJLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-11(18,7-14)6-12-8(15)4-5-13-9(16)2-3-10(13)17/h14,18H,2-7H2,1H3,(H,12,15).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
N-(2,3-dihydroxy-2-methylpropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 258.27 g/mol, XLogP of -1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 66169212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).