3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid

C8H13NO5 — CID 175759500

IUPAC3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid
SMILESCC1(O)C(CCO)C(=O)NC1C(=O)O
InChIInChI=1S/C8H13NO5/c1-8(14)4(2-3-10)6(11)9-5(8)7(12)13/h4-5,10,14H,2-3H2,1H3,(H,9,11)(H,12,13)
InChIKeyROKSPZHQJXEELG-UHFFFAOYSA-N
MW203.19 g/mol
LogP-1.68
Rot. Bonds3

About 3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid

3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 175759500) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is 3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid
PubChem CID175759500
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid
SMILESCC1(O)C(CCO)C(=O)NC1C(=O)O
InChIInChI=1S/C8H13NO5/c1-8(14)4(2-3-10)6(11)9-5(8)7(12)13/h4-5,10,14H,2-3H2,1H3,(H,9,11)(H,12,13)
InChIKeyROKSPZHQJXEELG-UHFFFAOYSA-N
XLogP-1.68
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-1.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid (CID 175759500) is 3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid is CC1(O)C(CCO)C(=O)NC1C(=O)O.
What is the InChIKey of 3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is ROKSPZHQJXEELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c1-8(14)4(2-3-10)6(11)9-5(8)7(12)13/h4-5,10,14H,2-3H2,1H3,(H,9,11)(H,12,13).
What are the key properties of 3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid?
3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 203.19 g/mol, XLogP of -1.68, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 175759500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).