1-(3-methoxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid

C11H19NO4 — CID 103034262

IUPAC1-(3-methoxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOC(C)(C)CCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C11H19NO4/c1-11(2,16-3)4-5-12-7-8(10(14)15)6-9(12)13/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyQBQOYKDBYHXGJW-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.73
Rot. Bonds5

About 1-(3-methoxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid

1-(3-methoxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 103034262) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID103034262
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name1-(3-methoxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOC(C)(C)CCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C11H19NO4/c1-11(2,16-3)4-5-12-7-8(10(14)15)6-9(12)13/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyQBQOYKDBYHXGJW-UHFFFAOYSA-N
XLogP0.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83192927
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
5-oxo-1-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxylic acid
CID 115515986
1-[3-[(2-methylpropan-2-yl)oxy]propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690461
1-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83193064
1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 71757801
1-(3-hydroxy-4-methoxybutyl)-5-oxopyrrolidine-3-carboxylic acid
CID 106244819
1-[4-(2-methoxyethoxy)butyl]-5-oxopyrrolidine-3-carboxylic acid
CID 113463677
(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531
1-decyl-5-oxopyrrolidine-3-carboxylic acid
CID 3023563
1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 82512183
1-(2-methylsulfanylethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 63983679

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-methoxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid (CID 103034262) is 1-(3-methoxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-methoxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-methoxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid is COC(C)(C)CCN1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-(3-methoxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is QBQOYKDBYHXGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-11(2,16-3)4-5-12-7-8(10(14)15)6-9(12)13/h8H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 1-(3-methoxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(3-methoxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 103034262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).