ethyl 2-oxo-4-propan-2-ylpyrrolidine-3-carboxylate

C10H17NO3 — CID 22298238

IUPACethyl 2-oxo-4-propan-2-ylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1C(=O)NCC1C(C)C
InChIInChI=1S/C10H17NO3/c1-4-14-10(13)8-7(6(2)3)5-11-9(8)12/h6-8H,4-5H2,1-3H3,(H,11,12)
InChIKeyNYTXSHQLUKIAEA-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.57
Rot. Bonds3

About ethyl 2-oxo-4-propan-2-ylpyrrolidine-3-carboxylate

ethyl 2-oxo-4-propan-2-ylpyrrolidine-3-carboxylate (PubChem CID 22298238) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl 2-oxo-4-propan-2-ylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-4-propan-2-ylpyrrolidine-3-carboxylate
PubChem CID22298238
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl 2-oxo-4-propan-2-ylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1C(=O)NCC1C(C)C
InChIInChI=1S/C10H17NO3/c1-4-14-10(13)8-7(6(2)3)5-11-9(8)12/h6-8H,4-5H2,1-3H3,(H,11,12)
InChIKeyNYTXSHQLUKIAEA-UHFFFAOYSA-N
XLogP0.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl 2-oxo-4-propan-2-ylpyrrolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (3S,4R)-2-oxo-4-propan-2-ylpyrrolidine-3-carboxylate
CID 95986853
methyl (3R,4S)-2-oxo-4-propan-2-ylpyrrolidine-3-carboxylate
CID 95986850
ethyl (3S,4S)-4-methyl-2-oxopyrrolidine-3-carboxylate
CID 165064993
ethane;ethyl 4-(2-methylpropyl)-2-oxopyrrolidine-3-carboxylate;formic acid
CID 141179041
ethyl (4R,4aR,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine-4-carboxylate
CID 6541014
ethyl (3S)-2-oxo-4-phenylpyrrolidine-3-carboxylate
CID 118038022
ethyl (1S,5R,6R)-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 169274214
ethyl 4-hydroxy-5-oxopyrrolidine-3-carboxylate
CID 130007839
ethyl (4S)-4-(3,5-difluorophenyl)-2-oxopyrrolidine-3-carboxylate
CID 139293918
ethyl 2-oxo-4-pyridin-3-ylpyrrolidine-3-carboxylate
CID 122402974
ethyl (3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidine-3-carboxylate
CID 142493746
ethyl 4-(3-hydroxy-4-methoxyphenyl)-2-oxopyrrolidine-3-carboxylate
CID 170994003

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-4-propan-2-ylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl 2-oxo-4-propan-2-ylpyrrolidine-3-carboxylate (CID 22298238) is ethyl 2-oxo-4-propan-2-ylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 2-oxo-4-propan-2-ylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 2-oxo-4-propan-2-ylpyrrolidine-3-carboxylate is CCOC(=O)C1C(=O)NCC1C(C)C.
What is the InChIKey of ethyl 2-oxo-4-propan-2-ylpyrrolidine-3-carboxylate?
The InChIKey is NYTXSHQLUKIAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-14-10(13)8-7(6(2)3)5-11-9(8)12/h6-8H,4-5H2,1-3H3,(H,11,12).
What are the key properties of ethyl 2-oxo-4-propan-2-ylpyrrolidine-3-carboxylate?
ethyl 2-oxo-4-propan-2-ylpyrrolidine-3-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-4-propan-2-ylpyrrolidine-3-carboxylate is sourced from PubChem (CID 22298238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).