ethyl 4-hydroxy-5-oxopyrrolidine-3-carboxylate

C7H11NO4 — CID 130007839

IUPACethyl 4-hydroxy-5-oxopyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CNC(=O)C1O
InChIInChI=1S/C7H11NO4/c1-2-12-7(11)4-3-8-6(10)5(4)9/h4-5,9H,2-3H2,1H3,(H,8,10)
InChIKeyRJAPZHKRIKQIMJ-UHFFFAOYSA-N
MW173.17 g/mol
LogP-1.34
Rot. Bonds2

About ethyl 4-hydroxy-5-oxopyrrolidine-3-carboxylate

ethyl 4-hydroxy-5-oxopyrrolidine-3-carboxylate (PubChem CID 130007839) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is ethyl 4-hydroxy-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-5-oxopyrrolidine-3-carboxylate
PubChem CID130007839
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Nameethyl 4-hydroxy-5-oxopyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CNC(=O)C1O
InChIInChI=1S/C7H11NO4/c1-2-12-7(11)4-3-8-6(10)5(4)9/h4-5,9H,2-3H2,1H3,(H,8,10)
InChIKeyRJAPZHKRIKQIMJ-UHFFFAOYSA-N
XLogP-1.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl (3S,4S)-6-oxopiperidine-3,4-dicarboxylate
CID 101129718
diethyl (3R,4R)-6-oxopiperidine-3,4-dicarboxylate
CID 14201946
ethyl (3R,4S)-5-oxo-4-phenylpyrrolidine-3-carboxylate
CID 142553766
ethyl (1S,5R,6R)-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 169274214
ethyl (3S,4S)-4-methyl-2-oxopyrrolidine-3-carboxylate
CID 165064993
cis-diethyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate
CID 26967535
ethyl 2-oxo-4-propan-2-ylpyrrolidine-3-carboxylate
CID 22298238
ethyl (4R,4aR,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine-4-carboxylate
CID 6541014
3-O-ethyl 4-O-methyl pyrrolidine-3,4-dicarboxylate
CID 141137561
ethyl (3R,4R)-4-methylpyrrolidine-3-carboxylate
CID 94411103
diethyl 5-oxopyrrolidine-2,3-dicarboxylate
CID 45272996
ethyl (2R,3R)-2-methyl-5-oxooxolane-3-carboxylate
CID 101339914

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-5-oxopyrrolidine-3-carboxylate (CID 130007839) is ethyl 4-hydroxy-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-5-oxopyrrolidine-3-carboxylate is CCOC(=O)C1CNC(=O)C1O.
What is the InChIKey of ethyl 4-hydroxy-5-oxopyrrolidine-3-carboxylate?
The InChIKey is RJAPZHKRIKQIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-2-12-7(11)4-3-8-6(10)5(4)9/h4-5,9H,2-3H2,1H3,(H,8,10).
What are the key properties of ethyl 4-hydroxy-5-oxopyrrolidine-3-carboxylate?
ethyl 4-hydroxy-5-oxopyrrolidine-3-carboxylate has a molecular weight of 173.17 g/mol, XLogP of -1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 130007839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).