ethyl 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2-carboxylate

C12H18N2O5 — CID 62013054

IUPACethyl 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1CC(=O)N1CCOC1=O
InChIInChI=1S/C12H18N2O5/c1-2-18-11(16)9-4-3-5-13(9)8-10(15)14-6-7-19-12(14)17/h9H,2-8H2,1H3
InChIKeyHTHCMYFKVQDFSM-UHFFFAOYSA-N
MW270.28 g/mol
LogP-0.01
Rot. Bonds4

About ethyl 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2-carboxylate

ethyl 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2-carboxylate (PubChem CID 62013054) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is ethyl 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2-carboxylate
PubChem CID62013054
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Nameethyl 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1CC(=O)N1CCOC1=O
InChIInChI=1S/C12H18N2O5/c1-2-18-11(16)9-4-3-5-13(9)8-10(15)14-6-7-19-12(14)17/h9H,2-8H2,1H3
InChIKeyHTHCMYFKVQDFSM-UHFFFAOYSA-N
XLogP-0.01
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[2-(azocan-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62028766
ethyl 1-(2-methylidenebutyl)pyrrolidine-2-carboxylate
CID 66037356
3-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-2-carboxylic acid
CID 107072467
ethyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62028753
ethyl (2R)-1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 94822878
ethyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62011895
ethyl 1-(2-bromoprop-2-enyl)piperidine-2-carboxylate
CID 78968925
ethyl 1-(2-ethoxyethyl)pyrrolidine-2-carboxylate
CID 62028361
ethyl (2S)-1-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-2-carboxylate
CID 138628046
ethyl 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2-carboxylate
CID 80611294
ethyl 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate
CID 115281474
ethyl 1-propanoylpyrrolidine-2-carboxylate
CID 11845503

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2-carboxylate (CID 62013054) is ethyl 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1CC(=O)N1CCOC1=O.
What is the InChIKey of ethyl 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2-carboxylate?
The InChIKey is HTHCMYFKVQDFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-2-18-11(16)9-4-3-5-13(9)8-10(15)14-6-7-19-12(14)17/h9H,2-8H2,1H3.
What are the key properties of ethyl 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2-carboxylate?
ethyl 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2-carboxylate has a molecular weight of 270.28 g/mol, XLogP of -0.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 62013054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).