methyl 1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate

C19H22N2O5 — CID 92844176

IUPACmethyl 1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2oc3ccccc3c2n1C[C@H](O)CN1CCOCC1
InChIInChI=1S/C19H22N2O5/c1-24-19(23)15-10-17-18(14-4-2-3-5-16(14)26-17)21(15)12-13(22)11-20-6-8-25-9-7-20/h2-5,10,13,22H,6-9,11-12H2,1H3/t13-/m1/s1
InChIKeySKKCDYHHWGQHQN-CYBMUJFWSA-N
MW358.39 g/mol
LogP1.87
Rot. Bonds5

About methyl 1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate

methyl 1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate (PubChem CID 92844176) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is methyl 1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
PubChem CID92844176
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Namemethyl 1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2oc3ccccc3c2n1C[C@H](O)CN1CCOCC1
InChIInChI=1S/C19H22N2O5/c1-24-19(23)15-10-17-18(14-4-2-3-5-16(14)26-17)21(15)12-13(22)11-20-6-8-25-9-7-20/h2-5,10,13,22H,6-9,11-12H2,1H3/t13-/m1/s1
InChIKeySKKCDYHHWGQHQN-CYBMUJFWSA-N
XLogP1.87
TPSA77.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate with MolForge

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Related Compounds

methyl 1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
CID 4296442
methyl 4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2,3-dimethylfuro[3,2-b]pyrrole-5-carboxylate
CID 92844056
methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
CID 6618844
methyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]benzoate
CID 754353
N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-benzofuran-3-carboxamide
CID 97245650
9-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one
CID 713053
9-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one
CID 713048
1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;hydrochloride
CID 45283705
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 3817099
ethyl 3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxylate
CID 568026
1-morpholin-4-yl-3-(2,3,6-trimethylindol-1-yl)propan-2-ol
CID 167588566
[1-(2-hydroxy-3-morpholin-4-ylpropyl)-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone
CID 11836828

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate?
The IUPAC name of methyl 1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate (CID 92844176) is methyl 1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate?
The canonical SMILES for methyl 1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate is COC(=O)c1cc2oc3ccccc3c2n1C[C@H](O)CN1CCOCC1.
What is the InChIKey of methyl 1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate?
The InChIKey is SKKCDYHHWGQHQN-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-24-19(23)15-10-17-18(14-4-2-3-5-16(14)26-17)21(15)12-13(22)11-20-6-8-25-9-7-20/h2-5,10,13,22H,6-9,11-12H2,1H3/t13-/m1/s1.
What are the key properties of methyl 1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate?
methyl 1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate has a molecular weight of 358.39 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate is sourced from PubChem (CID 92844176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).