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

C17H26N2O7 — CID 142565028

IUPACtert-butyl (2S)-2-[(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]2CN(C(=O)OC(C)(C)C)CCO2)C1
InChIInChI=1S/C17H26N2O7/c1-5-24-15(22)12-10-19(14(21)13(12)20)9-11-8-18(6-7-25-11)16(23)26-17(2,3)4/h11,20H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyGFQYKWZXUQFFBQ-LLVKDONJSA-N
MW370.40 g/mol
LogP0.84
Rot. Bonds4

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

tert-butyl (2S)-2-[(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]morpholine-4-carboxylate (PubChem CID 142565028) has the molecular formula C17H26N2O7 and a molecular weight of 370.40 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]morpholine-4-carboxylate
PubChem CID142565028
Molecular FormulaC17H26N2O7
Molecular Weight370.40 g/mol
Exact Mass370.17
IUPAC Nametert-butyl (2S)-2-[(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]2CN(C(=O)OC(C)(C)C)CCO2)C1
InChIInChI=1S/C17H26N2O7/c1-5-24-15(22)12-10-19(14(21)13(12)20)9-11-8-18(6-7-25-11)16(23)26-17(2,3)4/h11,20H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyGFQYKWZXUQFFBQ-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 (2S)-2-[(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]morpholine-4-carboxylate with MolForge

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Related Compounds

tert-butyl (3R)-3-[(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]morpholine-4-carboxylate
CID 142564805
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tert-butyl 2-(aminomethyl)morpholine-4-carboxylate
CID 19081094
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
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CID 123628570
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CID 175429162
tert-butyl 2-[(4-aminopyrazol-1-yl)methyl]morpholine-4-carboxylate
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tert-butyl 2-[(2-hydroxyphenyl)methyl]morpholine-4-carboxylate
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tert-butyl 7-ethyl-1,4-oxazepane-4-carboxylate
CID 159190237
1-O-tert-butyl 4-O-ethyl 5-amino-6-methyl-2,3,6,7-tetrahydroazepine-1,4-dicarboxylate
CID 59022540
tert-butyl 2-(2-ethoxyprop-2-enoyl)morpholine-4-carboxylate
CID 162741113
tert-butyl (2S)-2-(3-methoxy-3-oxopropyl)morpholine-4-carboxylate
CID 172685456

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]morpholine-4-carboxylate (CID 142565028) is tert-butyl (2S)-2-[(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(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]2CN(C(=O)OC(C)(C)C)CCO2)C1.
What is the InChIKey of tert-butyl (2S)-2-[(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]morpholine-4-carboxylate?
The InChIKey is GFQYKWZXUQFFBQ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H26N2O7/c1-5-24-15(22)12-10-19(14(21)13(12)20)9-11-8-18(6-7-25-11)16(23)26-17(2,3)4/h11,20H,5-10H2,1-4H3/t11-/m1/s1.
What are the key properties of tert-butyl (2S)-2-[(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]morpholine-4-carboxylate?
tert-butyl (2S)-2-[(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 (2S)-2-[(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]morpholine-4-carboxylate is sourced from PubChem (CID 142565028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).