(2S,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid

C9H17NO4 — CID 54187811

IUPAC(2S,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)ON1C[C@@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C9H17NO4/c1-9(2,3)14-10-5-6(11)4-7(10)8(12)13/h6-7,11H,4-5H2,1-3H3,(H,12,13)/t6-,7-/m0/s1
InChIKeyPGIINKQYXGSXKY-BQBZGAKWSA-N
MW203.24 g/mol
LogP0.24
Rot. Bonds2

About (2S,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid

(2S,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid (PubChem CID 54187811) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is (2S,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid
PubChem CID54187811
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name(2S,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)ON1C[C@@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C9H17NO4/c1-9(2,3)14-10-5-6(11)4-7(10)8(12)13/h6-7,11H,4-5H2,1-3H3,(H,12,13)/t6-,7-/m0/s1
InChIKeyPGIINKQYXGSXKY-BQBZGAKWSA-N
XLogP0.24
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

sodium;hydride;(4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 173126664
(2S)-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid
CID 89393310
(4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58820492
(2R,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58493970
(2R,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30079769
(2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 118989202
(2R,4R)-1-(3-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000057
(2S,4R)-4-hydroxy-1-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 88652438
4-hydroxy-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 43183753
(2S,4R)-1-(2-tert-butylsulfanylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 28778378
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61158610
(2S,4R)-1-(2-amino-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 113353486

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid (CID 54187811) is (2S,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid is CC(C)(C)ON1C[C@@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid?
The InChIKey is PGIINKQYXGSXKY-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H17NO4/c1-9(2,3)14-10-5-6(11)4-7(10)8(12)13/h6-7,11H,4-5H2,1-3H3,(H,12,13)/t6-,7-/m0/s1.
What are the key properties of (2S,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid?
(2S,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid has a molecular weight of 203.24 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54187811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).