2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylic acid

C11H19NO4 — CID 90760621

IUPAC2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)C(=O)OCC1CCCN1C(=O)O
InChIInChI=1S/C11H19NO4/c1-11(2,3)9(13)16-7-8-5-4-6-12(8)10(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyHZZJJZLLWLXMFA-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.72
Rot. Bonds2

About 2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylic acid

2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylic acid (PubChem CID 90760621) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylic acid
PubChem CID90760621
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)C(=O)OCC1CCCN1C(=O)O
InChIInChI=1S/C11H19NO4/c1-11(2,3)9(13)16-7-8-5-4-6-12(8)10(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyHZZJJZLLWLXMFA-UHFFFAOYSA-N
XLogP1.72
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylic acid (CID 90760621) is 2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylic acid is CC(C)(C)C(=O)OCC1CCCN1C(=O)O.
What is the InChIKey of 2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is HZZJJZLLWLXMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-11(2,3)9(13)16-7-8-5-4-6-12(8)10(14)15/h8H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylic acid?
2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 90760621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).