N-(2-hydroxy-3-methoxypropyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide

C11H20N2O4 — CID 54993619

IUPACN-(2-hydroxy-3-methoxypropyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
SMILESCOCC(O)CN(C)C(=O)C1CC(=O)N(C)C1
InChIInChI=1S/C11H20N2O4/c1-12-5-8(4-10(12)15)11(16)13(2)6-9(14)7-17-3/h8-9,14H,4-7H2,1-3H3
InChIKeyKKNJDZZRNPFWFX-UHFFFAOYSA-N
MW244.29 g/mol
LogP-1.07
Rot. Bonds5

About N-(2-hydroxy-3-methoxypropyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide

N-(2-hydroxy-3-methoxypropyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 54993619) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID54993619
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
SMILESCOCC(O)CN(C)C(=O)C1CC(=O)N(C)C1
InChIInChI=1S/C11H20N2O4/c1-12-5-8(4-10(12)15)11(16)13(2)6-9(14)7-17-3/h8-9,14H,4-7H2,1-3H3
InChIKeyKKNJDZZRNPFWFX-UHFFFAOYSA-N
XLogP-1.07
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide (CID 54993619) is N-(2-hydroxy-3-methoxypropyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide is COCC(O)CN(C)C(=O)C1CC(=O)N(C)C1.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KKNJDZZRNPFWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-12-5-8(4-10(12)15)11(16)13(2)6-9(14)7-17-3/h8-9,14H,4-7H2,1-3H3.
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide?
N-(2-hydroxy-3-methoxypropyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 244.29 g/mol, XLogP of -1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 54993619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).