(2R)-1-(2,2-dimethylpropanoyl)-2-(hydroxymethyl)pyrrolidine-2-carboxylate

C11H18NO4- — CID 7241266

IUPAC(2R)-1-(2,2-dimethylpropanoyl)-2-(hydroxymethyl)pyrrolidine-2-carboxylate
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)/p-1/t11-/m1/s1
InChIKeySPCAWXFTTUXKQI-LLVKDONJSA-M
MW228.27 g/mol
LogP-0.86
Rot. Bonds2

About (2R)-1-(2,2-dimethylpropanoyl)-2-(hydroxymethyl)pyrrolidine-2-carboxylate

(2R)-1-(2,2-dimethylpropanoyl)-2-(hydroxymethyl)pyrrolidine-2-carboxylate (PubChem CID 7241266) has the molecular formula C11H18NO4- and a molecular weight of 228.27 g/mol. Its IUPAC name is (2R)-1-(2,2-dimethylpropanoyl)-2-(hydroxymethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2R)-1-(2,2-dimethylpropanoyl)-2-(hydroxymethyl)pyrrolidine-2-carboxylate
PubChem CID7241266
Molecular FormulaC11H18NO4-
Molecular Weight228.27 g/mol
Exact Mass228.12
IUPAC Name(2R)-1-(2,2-dimethylpropanoyl)-2-(hydroxymethyl)pyrrolidine-2-carboxylate
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)/p-1/t11-/m1/s1
InChIKeySPCAWXFTTUXKQI-LLVKDONJSA-M
XLogP-0.86
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,2-dimethylpropanoyl)-2-(hydroxymethyl)pyrrolidine-2-carboxylate?
The IUPAC name of (2R)-1-(2,2-dimethylpropanoyl)-2-(hydroxymethyl)pyrrolidine-2-carboxylate (CID 7241266) is (2R)-1-(2,2-dimethylpropanoyl)-2-(hydroxymethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for (2R)-1-(2,2-dimethylpropanoyl)-2-(hydroxymethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for (2R)-1-(2,2-dimethylpropanoyl)-2-(hydroxymethyl)pyrrolidine-2-carboxylate 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-carboxylate?
The InChIKey is SPCAWXFTTUXKQI-LLVKDONJSA-M. 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)/p-1/t11-/m1/s1.
What are the key properties of (2R)-1-(2,2-dimethylpropanoyl)-2-(hydroxymethyl)pyrrolidine-2-carboxylate?
(2R)-1-(2,2-dimethylpropanoyl)-2-(hydroxymethyl)pyrrolidine-2-carboxylate has a molecular weight of 228.27 g/mol, XLogP of -0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,2-dimethylpropanoyl)-2-(hydroxymethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 7241266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).