tert-butyl (3R)-3-[(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]morpholine-4-carboxylate

C17H26N2O7 — CID 142564805

IUPACtert-butyl (3R)-3-[(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]morpholine-4-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)N(C[C@@H]2COCCN2C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H26N2O7/c1-5-25-15(22)12-9-18(14(21)13(12)20)8-11-10-24-7-6-19(11)16(23)26-17(2,3)4/h11,20H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyUGWUJIVZKWXART-LLVKDONJSA-N
MW370.40 g/mol
LogP0.84
Rot. Bonds4

About tert-butyl (3R)-3-[(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]morpholine-4-carboxylate

tert-butyl (3R)-3-[(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]morpholine-4-carboxylate (PubChem CID 142564805) has the molecular formula C17H26N2O7 and a molecular weight of 370.40 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]morpholine-4-carboxylate
PubChem CID142564805
Molecular FormulaC17H26N2O7
Molecular Weight370.40 g/mol
Exact Mass370.17
IUPAC Nametert-butyl (3R)-3-[(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]morpholine-4-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)N(C[C@@H]2COCCN2C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H26N2O7/c1-5-25-15(22)12-9-18(14(21)13(12)20)8-11-10-24-7-6-19(11)16(23)26-17(2,3)4/h11,20H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyUGWUJIVZKWXART-LLVKDONJSA-N
XLogP0.84
TPSA105.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl (3R)-3-[(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]morpholine-4-carboxylate with MolForge

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Related Compounds

tert-butyl (2S)-2-[(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]morpholine-4-carboxylate
CID 142565028
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride
CID 84819306
tert-butyl 3-(1-ethoxy-1,3-dioxobutan-2-yl)morpholine-4-carboxylate
CID 178201481
ethyl 1-[2-(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate
CID 102340354
tert-butyl (3R)-3-[(11-ethyl-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-5-yl)methyl]morpholine-4-carboxylate
CID 142565117
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propanoic acid
CID 53425042
tert-butyl 3-[2-(4-methylphenyl)-2-oxoethyl]morpholine-4-carboxylate
CID 104855099
tert-butyl 3-[2-(chloromethoxy)-2-oxoethyl]morpholine-4-carboxylate
CID 165438860
2-amino-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]pentanoic acid
CID 174175731
(2S)-2-amino-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]pentanoic acid
CID 170738312
tert-butyl (3S)-3-(phenylmethoxymethyl)morpholine-4-carboxylate
CID 20648537

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]morpholine-4-carboxylate (CID 142564805) is tert-butyl (3R)-3-[(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]morpholine-4-carboxylate is CCOC(=O)C1=C(O)C(=O)N(C[C@@H]2COCCN2C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-[(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]morpholine-4-carboxylate?
The InChIKey is UGWUJIVZKWXART-LLVKDONJSA-N. The full InChI is InChI=1S/C17H26N2O7/c1-5-25-15(22)12-9-18(14(21)13(12)20)8-11-10-24-7-6-19(11)16(23)26-17(2,3)4/h11,20H,5-10H2,1-4H3/t11-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]morpholine-4-carboxylate?
tert-butyl (3R)-3-[(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]morpholine-4-carboxylate has a molecular weight of 370.40 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]morpholine-4-carboxylate is sourced from PubChem (CID 142564805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).