3-(2-methoxy-2-methylpropyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid

C11H19NO4 — CID 105360045

IUPAC3-(2-methoxy-2-methylpropyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid
SMILESCOC(C)(C)CC1(C)CC(=O)NC1C(=O)O
InChIInChI=1S/C11H19NO4/c1-10(2,16-4)6-11(3)5-7(13)12-8(11)9(14)15/h8H,5-6H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyCHRJPWFGJBFXPI-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.78
Rot. Bonds4

About 3-(2-methoxy-2-methylpropyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid

3-(2-methoxy-2-methylpropyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 105360045) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(2-methoxy-2-methylpropyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxy-2-methylpropyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid
PubChem CID105360045
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name3-(2-methoxy-2-methylpropyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid
SMILESCOC(C)(C)CC1(C)CC(=O)NC1C(=O)O
InChIInChI=1S/C11H19NO4/c1-10(2,16-4)6-11(3)5-7(13)12-8(11)9(14)15/h8H,5-6H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyCHRJPWFGJBFXPI-UHFFFAOYSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1'-Hydroxykainic acid
CID 195427
(S)-2-((tert-Butoxycarbonyl)amino)-3-((S)-2-oxopyrrolidin-3-yl)propanoic acid
CID 91008457
3-(4-Hydroxy-4-methoxycarbonylmethyl-3-methyl-2-oxopyrrolidin-3-yl)propionic acid, methyl ester
CID 613935
2-((tert-Butoxycarbonyl)amino)-3-(2-oxopyrrolidin-3-yl)propanoic acid
CID 70331152
(2S)-2-((tert-Butoxycarbonyl)amino)-3-(2-oxopyrrolidin-3-yl)propanoic acid
CID 91486411
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoic acid
CID 162386487
Ethane;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoic acid
CID 168941973
Tert-butyl 4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-2-carboxylate
CID 172367611
ethyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-2-carboxylate
CID 10965901
3-(Carboxymethyl)-4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid
CID 53463725
5-Methoxy-5-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 82780940
5-Methoxy-2-[(1-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid
CID 82786213

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-2-methylpropyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 3-(2-methoxy-2-methylpropyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid (CID 105360045) is 3-(2-methoxy-2-methylpropyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-(2-methoxy-2-methylpropyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-(2-methoxy-2-methylpropyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid is COC(C)(C)CC1(C)CC(=O)NC1C(=O)O.
What is the InChIKey of 3-(2-methoxy-2-methylpropyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is CHRJPWFGJBFXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-10(2,16-4)6-11(3)5-7(13)12-8(11)9(14)15/h8H,5-6H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 3-(2-methoxy-2-methylpropyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid?
3-(2-methoxy-2-methylpropyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-2-methylpropyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 105360045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).