(2S,4R)-4-hydroxy-4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylic acid

C7H11NO6 — CID 123788900

IUPAC(2S,4R)-4-hydroxy-4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylic acid
SMILESO=C(O)[C@@H]1C[C@](O)(CO)CN1C(=O)O
InChIInChI=1S/C7H11NO6/c9-3-7(14)1-4(5(10)11)8(2-7)6(12)13/h4,9,14H,1-3H2,(H,10,11)(H,12,13)/t4-,7+/m0/s1
InChIKeyMDTRFWLINHRTJH-MHTLYPKNSA-N
MW205.17 g/mol
LogP-1.45
Rot. Bonds2

About (2S,4R)-4-hydroxy-4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylic acid

(2S,4R)-4-hydroxy-4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylic acid (PubChem CID 123788900) has the molecular formula C7H11NO6 and a molecular weight of 205.17 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylic acid
PubChem CID123788900
Molecular FormulaC7H11NO6
Molecular Weight205.17 g/mol
Exact Mass205.06
IUPAC Name(2S,4R)-4-hydroxy-4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylic acid
SMILESO=C(O)[C@@H]1C[C@](O)(CO)CN1C(=O)O
InChIInChI=1S/C7H11NO6/c9-3-7(14)1-4(5(10)11)8(2-7)6(12)13/h4,9,14H,1-3H2,(H,10,11)(H,12,13)/t4-,7+/m0/s1
InChIKeyMDTRFWLINHRTJH-MHTLYPKNSA-N
XLogP-1.45
TPSA118.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-4-hydroxy-4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of (2S,4R)-4-hydroxy-4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylic acid (CID 123788900) is (2S,4R)-4-hydroxy-4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for (2S,4R)-4-hydroxy-4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for (2S,4R)-4-hydroxy-4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylic acid is O=C(O)[C@@H]1C[C@](O)(CO)CN1C(=O)O.
What is the InChIKey of (2S,4R)-4-hydroxy-4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylic acid?
The InChIKey is MDTRFWLINHRTJH-MHTLYPKNSA-N. The full InChI is InChI=1S/C7H11NO6/c9-3-7(14)1-4(5(10)11)8(2-7)6(12)13/h4,9,14H,1-3H2,(H,10,11)(H,12,13)/t4-,7+/m0/s1.
What are the key properties of (2S,4R)-4-hydroxy-4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylic acid?
(2S,4R)-4-hydroxy-4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylic acid has a molecular weight of 205.17 g/mol, XLogP of -1.45, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 123788900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).