methyl (2R)-4-[(2,4-difluoro-5-methoxycarbonylphenyl)carbamoyl]morpholine-2-carboxylate

C15H16F2N2O6 — CID 99804116

IUPACmethyl (2R)-4-[(2,4-difluoro-5-methoxycarbonylphenyl)carbamoyl]morpholine-2-carboxylate
SMILESCOC(=O)c1cc(NC(=O)N2CCO[C@@H](C(=O)OC)C2)c(F)cc1F
InChIInChI=1S/C15H16F2N2O6/c1-23-13(20)8-5-11(10(17)6-9(8)16)18-15(22)19-3-4-25-12(7-19)14(21)24-2/h5-6,12H,3-4,7H2,1-2H3,(H,18,22)/t12-/m1/s1
InChIKeyBZYFDYRULKXQJG-GFCCVEGCSA-N
MW358.30 g/mol
LogP1.16
Rot. Bonds3

About methyl (2R)-4-[(2,4-difluoro-5-methoxycarbonylphenyl)carbamoyl]morpholine-2-carboxylate

methyl (2R)-4-[(2,4-difluoro-5-methoxycarbonylphenyl)carbamoyl]morpholine-2-carboxylate (PubChem CID 99804116) has the molecular formula C15H16F2N2O6 and a molecular weight of 358.30 g/mol. Its IUPAC name is methyl (2R)-4-[(2,4-difluoro-5-methoxycarbonylphenyl)carbamoyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-4-[(2,4-difluoro-5-methoxycarbonylphenyl)carbamoyl]morpholine-2-carboxylate
PubChem CID99804116
Molecular FormulaC15H16F2N2O6
Molecular Weight358.30 g/mol
Exact Mass358.10
IUPAC Namemethyl (2R)-4-[(2,4-difluoro-5-methoxycarbonylphenyl)carbamoyl]morpholine-2-carboxylate
SMILESCOC(=O)c1cc(NC(=O)N2CCO[C@@H](C(=O)OC)C2)c(F)cc1F
InChIInChI=1S/C15H16F2N2O6/c1-23-13(20)8-5-11(10(17)6-9(8)16)18-15(22)19-3-4-25-12(7-19)14(21)24-2/h5-6,12H,3-4,7H2,1-2H3,(H,18,22)/t12-/m1/s1
InChIKeyBZYFDYRULKXQJG-GFCCVEGCSA-N
XLogP1.16
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-4-[(2,4-difluoro-5-methoxycarbonylphenyl)carbamoyl]morpholine-2-carboxylate?
The IUPAC name of methyl (2R)-4-[(2,4-difluoro-5-methoxycarbonylphenyl)carbamoyl]morpholine-2-carboxylate (CID 99804116) is methyl (2R)-4-[(2,4-difluoro-5-methoxycarbonylphenyl)carbamoyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl (2R)-4-[(2,4-difluoro-5-methoxycarbonylphenyl)carbamoyl]morpholine-2-carboxylate?
The canonical SMILES for methyl (2R)-4-[(2,4-difluoro-5-methoxycarbonylphenyl)carbamoyl]morpholine-2-carboxylate is COC(=O)c1cc(NC(=O)N2CCO[C@@H](C(=O)OC)C2)c(F)cc1F.
What is the InChIKey of methyl (2R)-4-[(2,4-difluoro-5-methoxycarbonylphenyl)carbamoyl]morpholine-2-carboxylate?
The InChIKey is BZYFDYRULKXQJG-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16F2N2O6/c1-23-13(20)8-5-11(10(17)6-9(8)16)18-15(22)19-3-4-25-12(7-19)14(21)24-2/h5-6,12H,3-4,7H2,1-2H3,(H,18,22)/t12-/m1/s1.
What are the key properties of methyl (2R)-4-[(2,4-difluoro-5-methoxycarbonylphenyl)carbamoyl]morpholine-2-carboxylate?
methyl (2R)-4-[(2,4-difluoro-5-methoxycarbonylphenyl)carbamoyl]morpholine-2-carboxylate has a molecular weight of 358.30 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-4-[(2,4-difluoro-5-methoxycarbonylphenyl)carbamoyl]morpholine-2-carboxylate is sourced from PubChem (CID 99804116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).