methyl 1-methyl-4-[[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]amino]pyrrole-2-carboxylate

C15H23N3O4 — CID 164635761

IUPACmethyl 1-methyl-4-[[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]amino]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(NC(=O)N2C[C@H](C)OC(C)(C)C2)cn1C
InChIInChI=1S/C15H23N3O4/c1-10-7-18(9-15(2,3)22-10)14(20)16-11-6-12(13(19)21-5)17(4)8-11/h6,8,10H,7,9H2,1-5H3,(H,16,20)/t10-/m0/s1
InChIKeyFUYOIBXYOCXCBU-JTQLQIEISA-N
MW309.37 g/mol
LogP1.84
Rot. Bonds2

About methyl 1-methyl-4-[[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]amino]pyrrole-2-carboxylate

methyl 1-methyl-4-[[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]amino]pyrrole-2-carboxylate (PubChem CID 164635761) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is methyl 1-methyl-4-[[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]amino]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-[[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]amino]pyrrole-2-carboxylate
PubChem CID164635761
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Namemethyl 1-methyl-4-[[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]amino]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(NC(=O)N2C[C@H](C)OC(C)(C)C2)cn1C
InChIInChI=1S/C15H23N3O4/c1-10-7-18(9-15(2,3)22-10)14(20)16-11-6-12(13(19)21-5)17(4)8-11/h6,8,10H,7,9H2,1-5H3,(H,16,20)/t10-/m0/s1
InChIKeyFUYOIBXYOCXCBU-JTQLQIEISA-N
XLogP1.84
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-[[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]amino]pyrrole-2-carboxylate?
The IUPAC name of methyl 1-methyl-4-[[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]amino]pyrrole-2-carboxylate (CID 164635761) is methyl 1-methyl-4-[[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]amino]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-[[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]amino]pyrrole-2-carboxylate?
The canonical SMILES for methyl 1-methyl-4-[[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]amino]pyrrole-2-carboxylate is COC(=O)c1cc(NC(=O)N2C[C@H](C)OC(C)(C)C2)cn1C.
What is the InChIKey of methyl 1-methyl-4-[[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]amino]pyrrole-2-carboxylate?
The InChIKey is FUYOIBXYOCXCBU-JTQLQIEISA-N. The full InChI is InChI=1S/C15H23N3O4/c1-10-7-18(9-15(2,3)22-10)14(20)16-11-6-12(13(19)21-5)17(4)8-11/h6,8,10H,7,9H2,1-5H3,(H,16,20)/t10-/m0/s1.
What are the key properties of methyl 1-methyl-4-[[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]amino]pyrrole-2-carboxylate?
methyl 1-methyl-4-[[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]amino]pyrrole-2-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-[[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]amino]pyrrole-2-carboxylate is sourced from PubChem (CID 164635761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).