2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoacetic acid

C8H13NO4 — CID 104767982

IUPAC2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoacetic acid
SMILESO=C(O)C(=O)N1CCC(CCO)C1
InChIInChI=1S/C8H13NO4/c10-4-2-6-1-3-9(5-6)7(11)8(12)13/h6,10H,1-5H2,(H,12,13)
InChIKeyRXNAODFIUOLLJZ-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.70
Rot. Bonds2

About 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoacetic acid

2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoacetic acid (PubChem CID 104767982) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoacetic acid
PubChem CID104767982
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoacetic acid
SMILESO=C(O)C(=O)N1CCC(CCO)C1
InChIInChI=1S/C8H13NO4/c10-4-2-6-1-3-9(5-6)7(11)8(12)13/h6,10H,1-5H2,(H,12,13)
InChIKeyRXNAODFIUOLLJZ-UHFFFAOYSA-N
XLogP-0.70
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(2-hydroxyethyl)piperidine-1-carboxylic acid
CID 69075758
2-[1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid
CID 114798908
methyl 2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetate
CID 107228466
2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 114797273
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-methylbut-2-en-1-one
CID 115746427
3-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 114799133
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]but-3-en-1-one
CID 114799302
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]but-2-yn-1-one
CID 107989683
7-bicyclo[4.1.0]heptanyl-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 113340532
7-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]heptanoic acid
CID 114799037
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(4-methylcyclohexyl)methanone
CID 115775330
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-methyl-2-sulfanylbutan-1-one
CID 107036526

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoacetic acid?
The IUPAC name of 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoacetic acid (CID 104767982) is 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoacetic acid.
What is the SMILES notation for 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoacetic acid?
The canonical SMILES for 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoacetic acid is O=C(O)C(=O)N1CCC(CCO)C1.
What is the InChIKey of 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoacetic acid?
The InChIKey is RXNAODFIUOLLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c10-4-2-6-1-3-9(5-6)7(11)8(12)13/h6,10H,1-5H2,(H,12,13).
What are the key properties of 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoacetic acid?
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoacetic acid has a molecular weight of 187.19 g/mol, XLogP of -0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoacetic acid is sourced from PubChem (CID 104767982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).