ethyl (2S)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate

C12H17NO4 — CID 11172483

IUPACethyl (2S)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCC[C@H]1[C@H]1C=C(C)C(=O)O1
InChIInChI=1S/C12H17NO4/c1-3-16-12(15)13-6-4-5-9(13)10-7-8(2)11(14)17-10/h7,9-10H,3-6H2,1-2H3/t9-,10+/m0/s1
InChIKeyKUGMQFLZGIHCHY-VHSXEESVSA-N
MW239.27 g/mol
LogP1.48
Rot. Bonds2

About ethyl (2S)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate

ethyl (2S)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate (PubChem CID 11172483) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is ethyl (2S)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate
PubChem CID11172483
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Nameethyl (2S)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCC[C@H]1[C@H]1C=C(C)C(=O)O1
InChIInChI=1S/C12H17NO4/c1-3-16-12(15)13-6-4-5-9(13)10-7-8(2)11(14)17-10/h7,9-10H,3-6H2,1-2H3/t9-,10+/m0/s1
InChIKeyKUGMQFLZGIHCHY-VHSXEESVSA-N
XLogP1.48
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate?
The IUPAC name of ethyl (2S)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate (CID 11172483) is ethyl (2S)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl (2S)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for ethyl (2S)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate is CCOC(=O)N1CCC[C@H]1[C@H]1C=C(C)C(=O)O1.
What is the InChIKey of ethyl (2S)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate?
The InChIKey is KUGMQFLZGIHCHY-VHSXEESVSA-N. The full InChI is InChI=1S/C12H17NO4/c1-3-16-12(15)13-6-4-5-9(13)10-7-8(2)11(14)17-10/h7,9-10H,3-6H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of ethyl (2S)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate?
ethyl (2S)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 239.27 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 11172483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).