N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-2,2-dimethylpropanamide

C12H22N2O3 — CID 113249227

IUPACN-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC1(O)CCN(C(=O)CNC(=O)C(C)(C)C)C1
InChIInChI=1S/C12H22N2O3/c1-11(2,3)10(16)13-7-9(15)14-6-5-12(4,17)8-14/h17H,5-8H2,1-4H3,(H,13,16)
InChIKeyHFPZOTRVVNRZQB-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.13
Rot. Bonds2

About N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-2,2-dimethylpropanamide

N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 113249227) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID113249227
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC1(O)CCN(C(=O)CNC(=O)C(C)(C)C)C1
InChIInChI=1S/C12H22N2O3/c1-11(2,3)10(16)13-7-9(15)14-6-5-12(4,17)8-14/h17H,5-8H2,1-4H3,(H,13,16)
InChIKeyHFPZOTRVVNRZQB-UHFFFAOYSA-N
XLogP0.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-2,2-dimethylpropanamide (CID 113249227) is N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-2,2-dimethylpropanamide is CC1(O)CCN(C(=O)CNC(=O)C(C)(C)C)C1.
What is the InChIKey of N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is HFPZOTRVVNRZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-11(2,3)10(16)13-7-9(15)14-6-5-12(4,17)8-14/h17H,5-8H2,1-4H3,(H,13,16).
What are the key properties of N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-2,2-dimethylpropanamide?
N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 242.32 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 113249227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).