methyl 4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2,3-dimethylfuro[3,2-b]pyrrole-5-carboxylate

C17H24N2O5 — CID 92844056

IUPACmethyl 4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2,3-dimethylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2oc(C)c(C)c2n1C[C@H](O)CN1CCOCC1
InChIInChI=1S/C17H24N2O5/c1-11-12(2)24-15-8-14(17(21)22-3)19(16(11)15)10-13(20)9-18-4-6-23-7-5-18/h8,13,20H,4-7,9-10H2,1-3H3/t13-/m1/s1
InChIKeyJGEWHGNGTXLUOA-CYBMUJFWSA-N
MW336.39 g/mol
LogP1.33
Rot. Bonds5

About methyl 4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2,3-dimethylfuro[3,2-b]pyrrole-5-carboxylate

methyl 4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2,3-dimethylfuro[3,2-b]pyrrole-5-carboxylate (PubChem CID 92844056) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is methyl 4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2,3-dimethylfuro[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2,3-dimethylfuro[3,2-b]pyrrole-5-carboxylate
PubChem CID92844056
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Namemethyl 4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2,3-dimethylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2oc(C)c(C)c2n1C[C@H](O)CN1CCOCC1
InChIInChI=1S/C17H24N2O5/c1-11-12(2)24-15-8-14(17(21)22-3)19(16(11)15)10-13(20)9-18-4-6-23-7-5-18/h8,13,20H,4-7,9-10H2,1-3H3/t13-/m1/s1
InChIKeyJGEWHGNGTXLUOA-CYBMUJFWSA-N
XLogP1.33
TPSA77.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2,3-dimethylfuro[3,2-b]pyrrole-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2,3-dimethylfuro[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2,3-dimethylfuro[3,2-b]pyrrole-5-carboxylate (CID 92844056) is methyl 4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2,3-dimethylfuro[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2,3-dimethylfuro[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2,3-dimethylfuro[3,2-b]pyrrole-5-carboxylate is COC(=O)c1cc2oc(C)c(C)c2n1C[C@H](O)CN1CCOCC1.
What is the InChIKey of methyl 4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2,3-dimethylfuro[3,2-b]pyrrole-5-carboxylate?
The InChIKey is JGEWHGNGTXLUOA-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-11-12(2)24-15-8-14(17(21)22-3)19(16(11)15)10-13(20)9-18-4-6-23-7-5-18/h8,13,20H,4-7,9-10H2,1-3H3/t13-/m1/s1.
What are the key properties of methyl 4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2,3-dimethylfuro[3,2-b]pyrrole-5-carboxylate?
methyl 4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2,3-dimethylfuro[3,2-b]pyrrole-5-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2,3-dimethylfuro[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 92844056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).