methyl 5-[(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

C19H24N2O6 — CID 97065042

IUPACmethyl 5-[(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)c1C
InChIInChI=1S/C19H24N2O6/c1-11-16(19(24)25-3)12(2)20-17(11)18(23)21-6-8-26-10-13(21)9-14(22)15-5-4-7-27-15/h4-5,7,13-14,20,22H,6,8-10H2,1-3H3/t13-,14-/m0/s1
InChIKeyYKMDWDNQBZLURH-KBPBESRZSA-N
MW376.41 g/mol
LogP1.98
Rot. Bonds5

About methyl 5-[(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

methyl 5-[(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 97065042) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is methyl 5-[(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
PubChem CID97065042
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Namemethyl 5-[(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)c1C
InChIInChI=1S/C19H24N2O6/c1-11-16(19(24)25-3)12(2)20-17(11)18(23)21-6-8-26-10-13(21)9-14(22)15-5-4-7-27-15/h4-5,7,13-14,20,22H,6,8-10H2,1-3H3/t13-,14-/m0/s1
InChIKeyYKMDWDNQBZLURH-KBPBESRZSA-N
XLogP1.98
TPSA105.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 5-[(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[(3S)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 124516293
N-tert-butyl-3-[2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide
CID 109467720
3-[2-(furan-2-yl)-2-hydroxyethyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 109467719
(3R)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-N-(2-pyrrol-1-ylethyl)morpholine-4-carboxamide
CID 97244661
[(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone
CID 99708101
N-(3-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide
CID 71916804
(3R)-N-[(1R)-1-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
CID 98871019
(3,5-dimethyl-1H-pyrrol-2-yl)-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]methanone
CID 97240194
methyl 5-[(2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 8920722
(3R)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide
CID 99630364
(3R)-N-[2-(cyclopenten-1-yl)ethyl]-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide
CID 97244674
(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide
CID 99718766

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-[(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (CID 97065042) is methyl 5-[(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-[(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-[(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is COC(=O)c1c(C)[nH]c(C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)c1C.
What is the InChIKey of methyl 5-[(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The InChIKey is YKMDWDNQBZLURH-KBPBESRZSA-N. The full InChI is InChI=1S/C19H24N2O6/c1-11-16(19(24)25-3)12(2)20-17(11)18(23)21-6-8-26-10-13(21)9-14(22)15-5-4-7-27-15/h4-5,7,13-14,20,22H,6,8-10H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of methyl 5-[(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
methyl 5-[(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 376.41 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 97065042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).