triethyl (2R)-2-morpholin-4-ylethane-1,1,2-tricarboxylate

C15H25NO7 — CID 28908426

IUPACtriethyl (2R)-2-morpholin-4-ylethane-1,1,2-tricarboxylate
SMILESCCOC(=O)C(C(=O)OCC)[C@H](C(=O)OCC)N1CCOCC1
InChIInChI=1S/C15H25NO7/c1-4-21-13(17)11(14(18)22-5-2)12(15(19)23-6-3)16-7-9-20-10-8-16/h11-12H,4-10H2,1-3H3/t12-/m1/s1
InChIKeyLAPARRLKIPFHNV-GFCCVEGCSA-N
MW331.37 g/mol
LogP-0.01
Rot. Bonds8

About triethyl (2R)-2-morpholin-4-ylethane-1,1,2-tricarboxylate

triethyl (2R)-2-morpholin-4-ylethane-1,1,2-tricarboxylate (PubChem CID 28908426) has the molecular formula C15H25NO7 and a molecular weight of 331.37 g/mol. Its IUPAC name is triethyl (2R)-2-morpholin-4-ylethane-1,1,2-tricarboxylate.

Molecular Properties

Compound Nametriethyl (2R)-2-morpholin-4-ylethane-1,1,2-tricarboxylate
PubChem CID28908426
Molecular FormulaC15H25NO7
Molecular Weight331.37 g/mol
Exact Mass331.16
IUPAC Nametriethyl (2R)-2-morpholin-4-ylethane-1,1,2-tricarboxylate
SMILESCCOC(=O)C(C(=O)OCC)[C@H](C(=O)OCC)N1CCOCC1
InChIInChI=1S/C15H25NO7/c1-4-21-13(17)11(14(18)22-5-2)12(15(19)23-6-3)16-7-9-20-10-8-16/h11-12H,4-10H2,1-3H3/t12-/m1/s1
InChIKeyLAPARRLKIPFHNV-GFCCVEGCSA-N
XLogP-0.01
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethyl (2R)-2-morpholin-4-ylethane-1,1,2-tricarboxylate?
The IUPAC name of triethyl (2R)-2-morpholin-4-ylethane-1,1,2-tricarboxylate (CID 28908426) is triethyl (2R)-2-morpholin-4-ylethane-1,1,2-tricarboxylate.
What is the SMILES notation for triethyl (2R)-2-morpholin-4-ylethane-1,1,2-tricarboxylate?
The canonical SMILES for triethyl (2R)-2-morpholin-4-ylethane-1,1,2-tricarboxylate is CCOC(=O)C(C(=O)OCC)[C@H](C(=O)OCC)N1CCOCC1.
What is the InChIKey of triethyl (2R)-2-morpholin-4-ylethane-1,1,2-tricarboxylate?
The InChIKey is LAPARRLKIPFHNV-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H25NO7/c1-4-21-13(17)11(14(18)22-5-2)12(15(19)23-6-3)16-7-9-20-10-8-16/h11-12H,4-10H2,1-3H3/t12-/m1/s1.
What are the key properties of triethyl (2R)-2-morpholin-4-ylethane-1,1,2-tricarboxylate?
triethyl (2R)-2-morpholin-4-ylethane-1,1,2-tricarboxylate has a molecular weight of 331.37 g/mol, XLogP of -0.01, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl (2R)-2-morpholin-4-ylethane-1,1,2-tricarboxylate is sourced from PubChem (CID 28908426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).