3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]pyrrolidine-1-carboxylic acid

C11H19NO5 — CID 22289903

IUPAC3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)COC1CCN(C(=O)O)C1
InChIInChI=1S/C11H19NO5/c1-11(2,3)17-9(13)7-16-8-4-5-12(6-8)10(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyKUFZKKNTKICNCM-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.10
Rot. Bonds3

About 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]pyrrolidine-1-carboxylic acid

3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]pyrrolidine-1-carboxylic acid (PubChem CID 22289903) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]pyrrolidine-1-carboxylic acid
PubChem CID22289903
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)COC1CCN(C(=O)O)C1
InChIInChI=1S/C11H19NO5/c1-11(2,3)17-9(13)7-16-8-4-5-12(6-8)10(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyKUFZKKNTKICNCM-UHFFFAOYSA-N
XLogP1.10
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]pyrrolidine-1-carboxylic acid (CID 22289903) is 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]pyrrolidine-1-carboxylic acid is CC(C)(C)OC(=O)COC1CCN(C(=O)O)C1.
What is the InChIKey of 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]pyrrolidine-1-carboxylic acid?
The InChIKey is KUFZKKNTKICNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-11(2,3)17-9(13)7-16-8-4-5-12(6-8)10(14)15/h8H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]pyrrolidine-1-carboxylic acid?
3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]pyrrolidine-1-carboxylic acid has a molecular weight of 245.27 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 22289903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).