(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxylic acid

C6H11NO4 — CID 10441970

IUPAC(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)[C@@H](CO)N1
InChIInChI=1S/C6H11NO4/c8-2-4-5(9)1-3(7-4)6(10)11/h3-5,7-9H,1-2H2,(H,10,11)/t3-,4+,5-/m0/s1
InChIKeyAEWQBAFSXFXHIT-LMVFSUKVSA-N
MW161.16 g/mol
LogP-1.85
Rot. Bonds2

About (2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxylic acid

(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxylic acid (PubChem CID 10441970) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is (2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxylic acid
PubChem CID10441970
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)[C@@H](CO)N1
InChIInChI=1S/C6H11NO4/c8-2-4-5(9)1-3(7-4)6(10)11/h3-5,7-9H,1-2H2,(H,10,11)/t3-,4+,5-/m0/s1
InChIKeyAEWQBAFSXFXHIT-LMVFSUKVSA-N
XLogP-1.85
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxylic acid (CID 10441970) is (2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@H](O)[C@@H](CO)N1.
What is the InChIKey of (2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is AEWQBAFSXFXHIT-LMVFSUKVSA-N. The full InChI is InChI=1S/C6H11NO4/c8-2-4-5(9)1-3(7-4)6(10)11/h3-5,7-9H,1-2H2,(H,10,11)/t3-,4+,5-/m0/s1.
What are the key properties of (2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxylic acid?
(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 161.16 g/mol, XLogP of -1.85, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 10441970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).