(2S,4R)-4-hydroxy-5-oxo-1-(trideuteriomethyl)pyrrolidine-2-carboxylic acid

C6H9NO4 — CID 140869902

IUPAC(2S,4R)-4-hydroxy-5-oxo-1-(trideuteriomethyl)pyrrolidine-2-carboxylic acid
SMILES[2H]C([2H])([2H])N1C(=O)[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C6H9NO4/c1-7-3(6(10)11)2-4(8)5(7)9/h3-4,8H,2H2,1H3,(H,10,11)/t3-,4+/m0/s1/i1D3
InChIKeyVZLWSLJHXHJFHW-SRMVSQNVSA-N
MW162.16 g/mol
LogP-1.34
Rot. Bonds2

About (2S,4R)-4-hydroxy-5-oxo-1-(trideuteriomethyl)pyrrolidine-2-carboxylic acid

(2S,4R)-4-hydroxy-5-oxo-1-(trideuteriomethyl)pyrrolidine-2-carboxylic acid (PubChem CID 140869902) has the molecular formula C6H9NO4 and a molecular weight of 162.16 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-5-oxo-1-(trideuteriomethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-5-oxo-1-(trideuteriomethyl)pyrrolidine-2-carboxylic acid
PubChem CID140869902
Molecular FormulaC6H9NO4
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Name(2S,4R)-4-hydroxy-5-oxo-1-(trideuteriomethyl)pyrrolidine-2-carboxylic acid
SMILES[2H]C([2H])([2H])N1C(=O)[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C6H9NO4/c1-7-3(6(10)11)2-4(8)5(7)9/h3-4,8H,2H2,1H3,(H,10,11)/t3-,4+/m0/s1/i1D3
InChIKeyVZLWSLJHXHJFHW-SRMVSQNVSA-N
XLogP-1.34
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-5-oxo-4-propan-2-ylpyrrolidine-2-carboxylic acid
CID 115016869
4-amino-1-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 83815578
4-(4-hydroxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 115040648
(4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid;(4S)-3-methyl-2-oxoimidazolidine-4-carboxylic acid
CID 159158543
tetrakis((2R)-1-methyl-5-oxopyrrolidine-2-carboxylic acid);bis(rhodium)
CID 11297246
4-fluoro-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylic acid
CID 166668755
(3S,5S)-5-(3,5-dimethoxyphenyl)-3-hydroxy-1-methylpyrrolidin-2-one
CID 126469359
1-ethyl-4-methyl-6-oxopiperidine-2-carboxylic acid
CID 130815234
(2S,4S)-1-(4-chlorophenyl)-4-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 139835169
(4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58820492
(2R)-1,4-dimethylpyrrolidine-2-carboxylic acid
CID 175489667
(2R,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58493970

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-5-oxo-1-(trideuteriomethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-hydroxy-5-oxo-1-(trideuteriomethyl)pyrrolidine-2-carboxylic acid (CID 140869902) is (2S,4R)-4-hydroxy-5-oxo-1-(trideuteriomethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-hydroxy-5-oxo-1-(trideuteriomethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-hydroxy-5-oxo-1-(trideuteriomethyl)pyrrolidine-2-carboxylic acid is [2H]C([2H])([2H])N1C(=O)[C@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4R)-4-hydroxy-5-oxo-1-(trideuteriomethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is VZLWSLJHXHJFHW-SRMVSQNVSA-N. The full InChI is InChI=1S/C6H9NO4/c1-7-3(6(10)11)2-4(8)5(7)9/h3-4,8H,2H2,1H3,(H,10,11)/t3-,4+/m0/s1/i1D3.
What are the key properties of (2S,4R)-4-hydroxy-5-oxo-1-(trideuteriomethyl)pyrrolidine-2-carboxylic acid?
(2S,4R)-4-hydroxy-5-oxo-1-(trideuteriomethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 162.16 g/mol, XLogP of -1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-5-oxo-1-(trideuteriomethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 140869902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).