1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpyrrolidine-3-carboxylic acid

C11H20N2O3 — CID 79369265

IUPAC1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCC(C(=O)N(C)C)N1CCC(C(=O)O)C1C
InChIInChI=1S/C11H20N2O3/c1-7-9(11(15)16)5-6-13(7)8(2)10(14)12(3)4/h7-9H,5-6H2,1-4H3,(H,15,16)
InChIKeyQIXQISHABIRYKP-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.26
Rot. Bonds3

About 1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpyrrolidine-3-carboxylic acid

1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79369265) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79369265
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCC(C(=O)N(C)C)N1CCC(C(=O)O)C1C
InChIInChI=1S/C11H20N2O3/c1-7-9(11(15)16)5-6-13(7)8(2)10(14)12(3)4/h7-9H,5-6H2,1-4H3,(H,15,16)
InChIKeyQIXQISHABIRYKP-UHFFFAOYSA-N
XLogP0.26
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 79372586
1-(1-cyclopentylethyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79383655
2-methyl-1-(4-methylpentan-2-yl)pyrrolidine-3-carboxylic acid
CID 79383736
2-(2-acetylpiperidin-1-yl)-N,N-dimethylpropanamide
CID 63846538
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide
CID 62014138
1-[1-(dimethylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351214
2-methyl-1-(1-phenylpropan-2-yl)pyrrolidine-3-carboxylic acid
CID 79383005
1-[1-(4-fluorophenyl)ethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79383647
(2R,3S)-2-ethyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 82406095
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
N,N-dimethyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]propanamide
CID 79546990
1-[1-hydroxypropan-2-yl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 104553133

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpyrrolidine-3-carboxylic acid (CID 79369265) is 1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpyrrolidine-3-carboxylic acid is CC(C(=O)N(C)C)N1CCC(C(=O)O)C1C.
What is the InChIKey of 1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is QIXQISHABIRYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7-9(11(15)16)5-6-13(7)8(2)10(14)12(3)4/h7-9H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpyrrolidine-3-carboxylic acid?
1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79369265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).