(2R)-1-(2,2-dimethylpropanoyl)-2-(hydroxymethyl)pyrrolidine-2-carboxylic acid

C11H19NO4 — CID 7241267

IUPAC(2R)-1-(2,2-dimethylpropanoyl)-2-(hydroxymethyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)C(=O)N1CCC[C@@]1(CO)C(=O)O
InChIInChI=1S/C11H19NO4/c1-10(2,3)8(14)12-6-4-5-11(12,7-13)9(15)16/h13H,4-7H2,1-3H3,(H,15,16)/t11-/m1/s1
InChIKeySPCAWXFTTUXKQI-LLVKDONJSA-N
MW229.28 g/mol
LogP0.47
Rot. Bonds2

About (2R)-1-(2,2-dimethylpropanoyl)-2-(hydroxymethyl)pyrrolidine-2-carboxylic acid

(2R)-1-(2,2-dimethylpropanoyl)-2-(hydroxymethyl)pyrrolidine-2-carboxylic acid (PubChem CID 7241267) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is (2R)-1-(2,2-dimethylpropanoyl)-2-(hydroxymethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2,2-dimethylpropanoyl)-2-(hydroxymethyl)pyrrolidine-2-carboxylic acid
PubChem CID7241267
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name(2R)-1-(2,2-dimethylpropanoyl)-2-(hydroxymethyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)C(=O)N1CCC[C@@]1(CO)C(=O)O
InChIInChI=1S/C11H19NO4/c1-10(2,3)8(14)12-6-4-5-11(12,7-13)9(15)16/h13H,4-7H2,1-3H3,(H,15,16)/t11-/m1/s1
InChIKeySPCAWXFTTUXKQI-LLVKDONJSA-N
XLogP0.47
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,2-dimethylpropanoyl)-2-(hydroxymethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2,2-dimethylpropanoyl)-2-(hydroxymethyl)pyrrolidine-2-carboxylic acid (CID 7241267) is (2R)-1-(2,2-dimethylpropanoyl)-2-(hydroxymethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2,2-dimethylpropanoyl)-2-(hydroxymethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2,2-dimethylpropanoyl)-2-(hydroxymethyl)pyrrolidine-2-carboxylic acid is CC(C)(C)C(=O)N1CCC[C@@]1(CO)C(=O)O.
What is the InChIKey of (2R)-1-(2,2-dimethylpropanoyl)-2-(hydroxymethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is SPCAWXFTTUXKQI-LLVKDONJSA-N. The full InChI is InChI=1S/C11H19NO4/c1-10(2,3)8(14)12-6-4-5-11(12,7-13)9(15)16/h13H,4-7H2,1-3H3,(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-1-(2,2-dimethylpropanoyl)-2-(hydroxymethyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(2,2-dimethylpropanoyl)-2-(hydroxymethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,2-dimethylpropanoyl)-2-(hydroxymethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 7241267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).