ethyl (2R)-2-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate

C14H17NO7 — CID 11404137

IUPACethyl (2R)-2-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
SMILESCCOC(=O)[C@H](CC(=O)N1CCOC1=O)[C@@H]1C=C(C)C(=O)O1
InChIInChI=1S/C14H17NO7/c1-3-20-13(18)9(10-6-8(2)12(17)22-10)7-11(16)15-4-5-21-14(15)19/h6,9-10H,3-5,7H2,1-2H3/t9-,10+/m1/s1
InChIKeyKFUKPVKGKYCYFY-ZJUUUORDSA-N
MW311.29 g/mol
LogP0.41
Rot. Bonds5

About ethyl (2R)-2-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate

ethyl (2R)-2-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate (PubChem CID 11404137) has the molecular formula C14H17NO7 and a molecular weight of 311.29 g/mol. Its IUPAC name is ethyl (2R)-2-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
PubChem CID11404137
Molecular FormulaC14H17NO7
Molecular Weight311.29 g/mol
Exact Mass311.10
IUPAC Nameethyl (2R)-2-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
SMILESCCOC(=O)[C@H](CC(=O)N1CCOC1=O)[C@@H]1C=C(C)C(=O)O1
InChIInChI=1S/C14H17NO7/c1-3-20-13(18)9(10-6-8(2)12(17)22-10)7-11(16)15-4-5-21-14(15)19/h6,9-10H,3-5,7H2,1-2H3/t9-,10+/m1/s1
InChIKeyKFUKPVKGKYCYFY-ZJUUUORDSA-N
XLogP0.41
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate?
The IUPAC name of ethyl (2R)-2-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate (CID 11404137) is ethyl (2R)-2-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate.
What is the SMILES notation for ethyl (2R)-2-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate?
The canonical SMILES for ethyl (2R)-2-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate is CCOC(=O)[C@H](CC(=O)N1CCOC1=O)[C@@H]1C=C(C)C(=O)O1.
What is the InChIKey of ethyl (2R)-2-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate?
The InChIKey is KFUKPVKGKYCYFY-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H17NO7/c1-3-20-13(18)9(10-6-8(2)12(17)22-10)7-11(16)15-4-5-21-14(15)19/h6,9-10H,3-5,7H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of ethyl (2R)-2-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate?
ethyl (2R)-2-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate has a molecular weight of 311.29 g/mol, XLogP of 0.41, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate is sourced from PubChem (CID 11404137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).