2-methoxyethyl (2S)-5-oxopyrrolidine-2-carboxylate

C8H13NO4 — CID 156790382

IUPAC2-methoxyethyl (2S)-5-oxopyrrolidine-2-carboxylate
SMILESCOCCOC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C8H13NO4/c1-12-4-5-13-8(11)6-2-3-7(10)9-6/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1
InChIKeyWSOLOQCBIJCQIQ-LURJTMIESA-N
MW187.19 g/mol
LogP-0.55
Rot. Bonds4

About 2-methoxyethyl (2S)-5-oxopyrrolidine-2-carboxylate

2-methoxyethyl (2S)-5-oxopyrrolidine-2-carboxylate (PubChem CID 156790382) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-methoxyethyl (2S)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl (2S)-5-oxopyrrolidine-2-carboxylate
PubChem CID156790382
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-methoxyethyl (2S)-5-oxopyrrolidine-2-carboxylate
SMILESCOCCOC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C8H13NO4/c1-12-4-5-13-8(11)6-2-3-7(10)9-6/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1
InChIKeyWSOLOQCBIJCQIQ-LURJTMIESA-N
XLogP-0.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-5-oxopyrrolidine-2-carbonyl]oxymethyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 66848985
decyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 22839298
undecyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 22840771
heptyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 22840773
tridecyl 5-oxopyrrolidine-2-carboxylate
CID 21282539
nonyl (2S)-5-oxopyrrolidine-2-carboxylate;octyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 160824087
octyl 5-oxopyrrolidine-2-carboxylate
CID 3861700
ethyl (2S)-5-oxopyrrolidine-2-carboxylate;methyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 159600459
prop-2-enyl 5-oxopyrrolidine-2-carboxylate
CID 14038126
[(E)-henicos-19-enyl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 101316385
4-phenylbutyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 57351422
prop-2-ynyl (2R)-5-oxopyrrolidine-2-carboxylate
CID 130742388

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl (2S)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of 2-methoxyethyl (2S)-5-oxopyrrolidine-2-carboxylate (CID 156790382) is 2-methoxyethyl (2S)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for 2-methoxyethyl (2S)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for 2-methoxyethyl (2S)-5-oxopyrrolidine-2-carboxylate is COCCOC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of 2-methoxyethyl (2S)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is WSOLOQCBIJCQIQ-LURJTMIESA-N. The full InChI is InChI=1S/C8H13NO4/c1-12-4-5-13-8(11)6-2-3-7(10)9-6/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1.
What are the key properties of 2-methoxyethyl (2S)-5-oxopyrrolidine-2-carboxylate?
2-methoxyethyl (2S)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 187.19 g/mol, XLogP of -0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl (2S)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 156790382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).