(2S,4R)-2-tert-butyl-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid

C10H19NO3 — CID 171774635

IUPAC(2S,4R)-2-tert-butyl-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid
SMILESCC(C)(C)[C@]1(C)C[C@@H](O)CN1C(=O)O
InChIInChI=1S/C10H19NO3/c1-9(2,3)10(4)5-7(12)6-11(10)8(13)14/h7,12H,5-6H2,1-4H3,(H,13,14)/t7-,10+/m1/s1
InChIKeyRONDXWSJKPEKPW-XCBNKYQSSA-N
MW201.27 g/mol
LogP1.54
Rot. Bonds

About (2S,4R)-2-tert-butyl-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid

(2S,4R)-2-tert-butyl-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid (PubChem CID 171774635) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (2S,4R)-2-tert-butyl-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-2-tert-butyl-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid
PubChem CID171774635
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(2S,4R)-2-tert-butyl-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid
SMILESCC(C)(C)[C@]1(C)C[C@@H](O)CN1C(=O)O
InChIInChI=1S/C10H19NO3/c1-9(2,3)10(4)5-7(12)6-11(10)8(13)14/h7,12H,5-6H2,1-4H3,(H,13,14)/t7-,10+/m1/s1
InChIKeyRONDXWSJKPEKPW-XCBNKYQSSA-N
XLogP1.54
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4R)-2-tert-butyl-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 69059096
4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylic acid
CID 166720603
(2S,4S)-2-tert-butyl-2-(dimethylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid
CID 67430111
(2S,5R)-2-tert-butyl-2,5-dimethylpiperazine-1-carboxylic acid
CID 175103708
4-hydroxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 22324599
tert-butyl (2R,4S)-4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate
CID 125424082
tert-butyl 4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate
CID 126838253
(2R,4R)-2-tert-butyl-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylic acid
CID 67269776
(2S)-2-tert-butyl-2-methylpiperazine-1-carboxylic acid
CID 23568516
1-tert-butyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 70203947
(1R,4S)-1-tert-butyl-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 95048203
(2S,4S)-2-tert-butyl-2-carbamoyl-4-fluoropyrrolidine-1-carboxylic acid
CID 67000428

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-tert-butyl-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid?
The IUPAC name of (2S,4R)-2-tert-butyl-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid (CID 171774635) is (2S,4R)-2-tert-butyl-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S,4R)-2-tert-butyl-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S,4R)-2-tert-butyl-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid is CC(C)(C)[C@]1(C)C[C@@H](O)CN1C(=O)O.
What is the InChIKey of (2S,4R)-2-tert-butyl-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid?
The InChIKey is RONDXWSJKPEKPW-XCBNKYQSSA-N. The full InChI is InChI=1S/C10H19NO3/c1-9(2,3)10(4)5-7(12)6-11(10)8(13)14/h7,12H,5-6H2,1-4H3,(H,13,14)/t7-,10+/m1/s1.
What are the key properties of (2S,4R)-2-tert-butyl-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid?
(2S,4R)-2-tert-butyl-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid has a molecular weight of 201.27 g/mol, XLogP of 1.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-tert-butyl-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 171774635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).