(2R,4R)-2-tert-butyl-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid

C10H19NO4 — CID 69059096

IUPAC(2R,4R)-2-tert-butyl-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)[C@@]1(CO)C[C@@H](O)CN1C(=O)O
InChIInChI=1S/C10H19NO4/c1-9(2,3)10(6-12)4-7(13)5-11(10)8(14)15/h7,12-13H,4-6H2,1-3H3,(H,14,15)/t7-,10+/m1/s1
InChIKeyRCXHWXRJBJRRBB-XCBNKYQSSA-N
MW217.26 g/mol
LogP0.51
Rot. Bonds1

About (2R,4R)-2-tert-butyl-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid

(2R,4R)-2-tert-butyl-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid (PubChem CID 69059096) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is (2R,4R)-2-tert-butyl-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-2-tert-butyl-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
PubChem CID69059096
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name(2R,4R)-2-tert-butyl-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)[C@@]1(CO)C[C@@H](O)CN1C(=O)O
InChIInChI=1S/C10H19NO4/c1-9(2,3)10(6-12)4-7(13)5-11(10)8(14)15/h7,12-13H,4-6H2,1-3H3,(H,14,15)/t7-,10+/m1/s1
InChIKeyRCXHWXRJBJRRBB-XCBNKYQSSA-N
XLogP0.51
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-tert-butyl-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2R,4R)-2-tert-butyl-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid (CID 69059096) is (2R,4R)-2-tert-butyl-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R,4R)-2-tert-butyl-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R,4R)-2-tert-butyl-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid is CC(C)(C)[C@@]1(CO)C[C@@H](O)CN1C(=O)O.
What is the InChIKey of (2R,4R)-2-tert-butyl-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is RCXHWXRJBJRRBB-XCBNKYQSSA-N. The full InChI is InChI=1S/C10H19NO4/c1-9(2,3)10(6-12)4-7(13)5-11(10)8(14)15/h7,12-13H,4-6H2,1-3H3,(H,14,15)/t7-,10+/m1/s1.
What are the key properties of (2R,4R)-2-tert-butyl-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
(2R,4R)-2-tert-butyl-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 217.26 g/mol, XLogP of 0.51, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-tert-butyl-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 69059096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).