(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid

C9H17NO3 — CID 854503

IUPAC(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid
SMILESCC1(C)C[C@H](C(=O)O)C(C)(C)N1O
InChIInChI=1S/C9H17NO3/c1-8(2)5-6(7(11)12)9(3,4)10(8)13/h6,13H,5H2,1-4H3,(H,11,12)/t6-/m1/s1
InChIKeyCLKPVQZFNYXFCY-ZCFIWIBFSA-N
MW187.24 g/mol
LogP1.34
Rot. Bonds1

About (3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid

(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid (PubChem CID 854503) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid
PubChem CID854503
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid
SMILESCC1(C)C[C@H](C(=O)O)C(C)(C)N1O
InChIInChI=1S/C9H17NO3/c1-8(2)5-6(7(11)12)9(3,4)10(8)13/h6,13H,5H2,1-4H3,(H,11,12)/t6-/m1/s1
InChIKeyCLKPVQZFNYXFCY-ZCFIWIBFSA-N
XLogP1.34
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid (CID 854503) is (3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid is CC1(C)C[C@H](C(=O)O)C(C)(C)N1O.
What is the InChIKey of (3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid?
The InChIKey is CLKPVQZFNYXFCY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H17NO3/c1-8(2)5-6(7(11)12)9(3,4)10(8)13/h6,13H,5H2,1-4H3,(H,11,12)/t6-/m1/s1.
What are the key properties of (3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid?
(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid has a molecular weight of 187.24 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 854503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).