3-(2-hydroxyethyl)-4-(hydroxymethyl)pyrrolidine-1-carboxylic acid

C8H15NO4 — CID 118555925

IUPAC3-(2-hydroxyethyl)-4-(hydroxymethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC(CO)C(CCO)C1
InChIInChI=1S/C8H15NO4/c10-2-1-6-3-9(8(12)13)4-7(6)5-11/h6-7,10-11H,1-5H2,(H,12,13)
InChIKeyYVROFOCBFXAHNF-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.41
Rot. Bonds3

About 3-(2-hydroxyethyl)-4-(hydroxymethyl)pyrrolidine-1-carboxylic acid

3-(2-hydroxyethyl)-4-(hydroxymethyl)pyrrolidine-1-carboxylic acid (PubChem CID 118555925) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-4-(hydroxymethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-4-(hydroxymethyl)pyrrolidine-1-carboxylic acid
PubChem CID118555925
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name3-(2-hydroxyethyl)-4-(hydroxymethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC(CO)C(CCO)C1
InChIInChI=1S/C8H15NO4/c10-2-1-6-3-9(8(12)13)4-7(6)5-11/h6-7,10-11H,1-5H2,(H,12,13)
InChIKeyYVROFOCBFXAHNF-UHFFFAOYSA-N
XLogP-0.41
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-4-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-(2-hydroxyethyl)-4-(hydroxymethyl)pyrrolidine-1-carboxylic acid (CID 118555925) is 3-(2-hydroxyethyl)-4-(hydroxymethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-(2-hydroxyethyl)-4-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-(2-hydroxyethyl)-4-(hydroxymethyl)pyrrolidine-1-carboxylic acid is O=C(O)N1CC(CO)C(CCO)C1.
What is the InChIKey of 3-(2-hydroxyethyl)-4-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is YVROFOCBFXAHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c10-2-1-6-3-9(8(12)13)4-7(6)5-11/h6-7,10-11H,1-5H2,(H,12,13).
What are the key properties of 3-(2-hydroxyethyl)-4-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
3-(2-hydroxyethyl)-4-(hydroxymethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 189.21 g/mol, XLogP of -0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-4-(hydroxymethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 118555925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).