(2S,3R,4R)-2,3,4-trihydroxypyrrolidine-2-carboxylic acid

C5H9NO5 — CID 58111748

IUPAC(2S,3R,4R)-2,3,4-trihydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@]1(O)NC[C@@H](O)[C@H]1O
InChIInChI=1S/C5H9NO5/c7-2-1-6-5(11,3(2)8)4(9)10/h2-3,6-8,11H,1H2,(H,9,10)/t2-,3-,5+/m1/s1
InChIKeyXUYDXLXUGLRBCM-KUCRYNDESA-N
MW163.13 g/mol
LogP-2.92
Rot. Bonds1

About (2S,3R,4R)-2,3,4-trihydroxypyrrolidine-2-carboxylic acid

(2S,3R,4R)-2,3,4-trihydroxypyrrolidine-2-carboxylic acid (PubChem CID 58111748) has the molecular formula C5H9NO5 and a molecular weight of 163.13 g/mol. Its IUPAC name is (2S,3R,4R)-2,3,4-trihydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R,4R)-2,3,4-trihydroxypyrrolidine-2-carboxylic acid
PubChem CID58111748
Molecular FormulaC5H9NO5
Molecular Weight163.13 g/mol
Exact Mass163.05
IUPAC Name(2S,3R,4R)-2,3,4-trihydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@]1(O)NC[C@@H](O)[C@H]1O
InChIInChI=1S/C5H9NO5/c7-2-1-6-5(11,3(2)8)4(9)10/h2-3,6-8,11H,1H2,(H,9,10)/t2-,3-,5+/m1/s1
InChIKeyXUYDXLXUGLRBCM-KUCRYNDESA-N
XLogP-2.92
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 5-2.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydroxy-2-methylpyrrolidine-2-carboxylic acid
CID 67431030
(2S,3S,4R)-3,4-dihydroxy-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 102038622
3-[(2R,3R,4R)-2,3,4-trihydroxypyrrolidin-2-yl]propanoic acid
CID 67341797
6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 82400684
(4S,5R)-piperidine-3,3,4,5-tetrol
CID 55287322
4-hydroxypyrrolidine-2,2-dicarboxylic acid
CID 19426691
3,4,5-trihydroxy-3-(hydroxymethyl)piperidin-2-one
CID 130019754
6-(4-chlorophenyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 82388884
(2S)-4-hydroxy-2-methylpyrrolidine-2-carboxylic acid
CID 57368515
trans-(3R,5R)-1,2,3,4,5-pentahydroxycyclohexane-1-carboxylic acid
CID 156612513
2-methyl-4-phenylimidazolidine-2-carboxylic acid
CID 68755333
cis-(3S,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid
CID 1268037

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-2,3,4-trihydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,3R,4R)-2,3,4-trihydroxypyrrolidine-2-carboxylic acid (CID 58111748) is (2S,3R,4R)-2,3,4-trihydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,3R,4R)-2,3,4-trihydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,3R,4R)-2,3,4-trihydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@]1(O)NC[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R)-2,3,4-trihydroxypyrrolidine-2-carboxylic acid?
The InChIKey is XUYDXLXUGLRBCM-KUCRYNDESA-N. The full InChI is InChI=1S/C5H9NO5/c7-2-1-6-5(11,3(2)8)4(9)10/h2-3,6-8,11H,1H2,(H,9,10)/t2-,3-,5+/m1/s1.
What are the key properties of (2S,3R,4R)-2,3,4-trihydroxypyrrolidine-2-carboxylic acid?
(2S,3R,4R)-2,3,4-trihydroxypyrrolidine-2-carboxylic acid has a molecular weight of 163.13 g/mol, XLogP of -2.92, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-2,3,4-trihydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 58111748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).