methyl 2-oxo-2-pyrrolidin-3-ylacetate

C7H11NO3 — CID 69176388

IUPACmethyl 2-oxo-2-pyrrolidin-3-ylacetate
SMILESCOC(=O)C(=O)C1CCNC1
InChIInChI=1S/C7H11NO3/c1-11-7(10)6(9)5-2-3-8-4-5/h5,8H,2-4H2,1H3
InChIKeyUXOBTWCBQVISEG-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.66
Rot. Bonds2

About methyl 2-oxo-2-pyrrolidin-3-ylacetate

methyl 2-oxo-2-pyrrolidin-3-ylacetate (PubChem CID 69176388) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is methyl 2-oxo-2-pyrrolidin-3-ylacetate.

Molecular Properties

Compound Namemethyl 2-oxo-2-pyrrolidin-3-ylacetate
PubChem CID69176388
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Namemethyl 2-oxo-2-pyrrolidin-3-ylacetate
SMILESCOC(=O)C(=O)C1CCNC1
InChIInChI=1S/C7H11NO3/c1-11-7(10)6(9)5-2-3-8-4-5/h5,8H,2-4H2,1H3
InChIKeyUXOBTWCBQVISEG-UHFFFAOYSA-N
XLogP-0.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl pyrrolidine-3-carboxylate
CID 4114360
2-methyl-1-[(3R)-pyrrolidin-3-yl]prop-2-en-1-one
CID 165464726
methyl piperidine-4-carboxylate;hydrochloride
CID 18783829
N-acetylpyrrolidine-3-carboxamide
CID 69120322
propan-2-yl 2-oxo-2-piperidin-4-ylacetate
CID 69175574
methyl 4-[(3R)-pyrrolidine-3-carbonyl]benzoate
CID 99934590
(3S)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 165429633
N-(cyanomethyl)pyrrolidine-3-carboxamide
CID 63005211
2-methyl-2-(pyrrolidine-3-carbonylamino)propanoic acid
CID 63005212
N-ethoxypyrrolidine-3-carboxamide
CID 64974765
ethyl (3R)-pyrrolidine-3-carboxylate
CID 53488454
tert-butyl pyrrolidine-3-carboxylate;hydrochloride
CID 86346376

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-2-pyrrolidin-3-ylacetate?
The IUPAC name of methyl 2-oxo-2-pyrrolidin-3-ylacetate (CID 69176388) is methyl 2-oxo-2-pyrrolidin-3-ylacetate.
What is the SMILES notation for methyl 2-oxo-2-pyrrolidin-3-ylacetate?
The canonical SMILES for methyl 2-oxo-2-pyrrolidin-3-ylacetate is COC(=O)C(=O)C1CCNC1.
What is the InChIKey of methyl 2-oxo-2-pyrrolidin-3-ylacetate?
The InChIKey is UXOBTWCBQVISEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-11-7(10)6(9)5-2-3-8-4-5/h5,8H,2-4H2,1H3.
What are the key properties of methyl 2-oxo-2-pyrrolidin-3-ylacetate?
methyl 2-oxo-2-pyrrolidin-3-ylacetate has a molecular weight of 157.17 g/mol, XLogP of -0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-2-pyrrolidin-3-ylacetate is sourced from PubChem (CID 69176388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).