4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylic acid

C12H21NO4 — CID 112602165

IUPAC4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)COC(C)(C)C)CC1C(=O)O
InChIInChI=1S/C12H21NO4/c1-8-5-13(6-9(8)11(15)16)10(14)7-17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKeyWEBVDBFBNJOVLJ-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.98
Rot. Bonds3

About 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylic acid

4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 112602165) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylic acid
PubChem CID112602165
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)COC(C)(C)C)CC1C(=O)O
InChIInChI=1S/C12H21NO4/c1-8-5-13(6-9(8)11(15)16)10(14)7-17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKeyWEBVDBFBNJOVLJ-UHFFFAOYSA-N
XLogP0.98
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylic acid (CID 112602165) is 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylic acid is CC1CN(C(=O)COC(C)(C)C)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is WEBVDBFBNJOVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-8-5-13(6-9(8)11(15)16)10(14)7-17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,15,16).
What are the key properties of 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylic acid?
4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 112602165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).