methyl 5-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

C16H24N2O4 — CID 124740670

IUPACmethyl 5-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)CN2C[C@H](C)OC[C@H]2C)c1C
InChIInChI=1S/C16H24N2O4/c1-9-8-22-10(2)6-18(9)7-13(19)15-11(3)14(12(4)17-15)16(20)21-5/h9-10,17H,6-8H2,1-5H3/t9-,10+/m1/s1
InChIKeyUVNDTFKCWPSGAU-ZJUUUORDSA-N
MW308.38 g/mol
LogP1.71
Rot. Bonds4

About methyl 5-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

methyl 5-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 124740670) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is methyl 5-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
PubChem CID124740670
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Namemethyl 5-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)CN2C[C@H](C)OC[C@H]2C)c1C
InChIInChI=1S/C16H24N2O4/c1-9-8-22-10(2)6-18(9)7-13(19)15-11(3)14(12(4)17-15)16(20)21-5/h9-10,17H,6-8H2,1-5H3/t9-,10+/m1/s1
InChIKeyUVNDTFKCWPSGAU-ZJUUUORDSA-N
XLogP1.71
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (CID 124740670) is methyl 5-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is COC(=O)c1c(C)[nH]c(C(=O)CN2C[C@H](C)OC[C@H]2C)c1C.
What is the InChIKey of methyl 5-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The InChIKey is UVNDTFKCWPSGAU-ZJUUUORDSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-9-8-22-10(2)6-18(9)7-13(19)15-11(3)14(12(4)17-15)16(20)21-5/h9-10,17H,6-8H2,1-5H3/t9-,10+/m1/s1.
What are the key properties of methyl 5-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
methyl 5-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 124740670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).