1,2,4-trimethyl-5-oxopyrrolidine-3-carboxylic acid

C8H13NO3 — CID 54373210

IUPAC1,2,4-trimethyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCC1C(=O)N(C)C(C)C1C(=O)O
InChIInChI=1S/C8H13NO3/c1-4-6(8(11)12)5(2)9(3)7(4)10/h4-6H,1-3H3,(H,11,12)
InChIKeyUURNMZZLDBHJJH-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.18
Rot. Bonds1

About 1,2,4-trimethyl-5-oxopyrrolidine-3-carboxylic acid

1,2,4-trimethyl-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 54373210) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1,2,4-trimethyl-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1,2,4-trimethyl-5-oxopyrrolidine-3-carboxylic acid
PubChem CID54373210
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name1,2,4-trimethyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCC1C(=O)N(C)C(C)C1C(=O)O
InChIInChI=1S/C8H13NO3/c1-4-6(8(11)12)5(2)9(3)7(4)10/h4-6H,1-3H3,(H,11,12)
InChIKeyUURNMZZLDBHJJH-UHFFFAOYSA-N
XLogP0.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-1,3,4-trimethylazetidin-2-one
CID 59947134
(2S,3R,4R)-4-hydroxy-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 122155387
N-carbamoyl-2-[(2R,3R,6R)-2,3,4,6-tetramethyl-5-oxopiperazin-1-yl]acetamide
CID 125421908
N-carbamoyl-2-[(2S,3R,6S)-2,3,4,6-tetramethyl-5-oxopiperazin-1-yl]acetamide
CID 125421909
2,4-dimethylcyclobutane-1,3-dicarboxylic acid
CID 123455238
1,5,7-trimethyl-6-propanoyl-3-propylazepan-2-one
CID 143541081
(2R,3S,4S)-4-hydroxy-1-methyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 162368129
(2S,3S)-1-[tert-butyl(dimethyl)silyl]-3-methyl-4-oxoazetidine-2-carboxylic acid
CID 10421900
(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-methyl-4-oxoazetidine-2-carboxylic acid
CID 10037438
5-methylcyclopentane-1,2,3,4-tetracarboxylic acid
CID 20514196
3-(2-hydroxyethyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 115010071
(2S)-1,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid
CID 67458673

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethyl-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1,2,4-trimethyl-5-oxopyrrolidine-3-carboxylic acid (CID 54373210) is 1,2,4-trimethyl-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1,2,4-trimethyl-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1,2,4-trimethyl-5-oxopyrrolidine-3-carboxylic acid is CC1C(=O)N(C)C(C)C1C(=O)O.
What is the InChIKey of 1,2,4-trimethyl-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is UURNMZZLDBHJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-4-6(8(11)12)5(2)9(3)7(4)10/h4-6H,1-3H3,(H,11,12).
What are the key properties of 1,2,4-trimethyl-5-oxopyrrolidine-3-carboxylic acid?
1,2,4-trimethyl-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 54373210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).