triethyl 2-[(2S)-morpholin-2-yl]ethane-1,1,1-tricarboxylate

C15H25NO7 — CID 165157175

IUPACtriethyl 2-[(2S)-morpholin-2-yl]ethane-1,1,1-tricarboxylate
SMILESCCOC(=O)C(C[C@H]1CNCCO1)(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C15H25NO7/c1-4-20-12(17)15(13(18)21-5-2,14(19)22-6-3)9-11-10-16-7-8-23-11/h11,16H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyFCVMTZQBJKJDDC-NSHDSACASA-N
MW331.37 g/mol
LogP0.04
Rot. Bonds8

About triethyl 2-[(2S)-morpholin-2-yl]ethane-1,1,1-tricarboxylate

triethyl 2-[(2S)-morpholin-2-yl]ethane-1,1,1-tricarboxylate (PubChem CID 165157175) has the molecular formula C15H25NO7 and a molecular weight of 331.37 g/mol. Its IUPAC name is triethyl 2-[(2S)-morpholin-2-yl]ethane-1,1,1-tricarboxylate.

Molecular Properties

Compound Nametriethyl 2-[(2S)-morpholin-2-yl]ethane-1,1,1-tricarboxylate
PubChem CID165157175
Molecular FormulaC15H25NO7
Molecular Weight331.37 g/mol
Exact Mass331.16
IUPAC Nametriethyl 2-[(2S)-morpholin-2-yl]ethane-1,1,1-tricarboxylate
SMILESCCOC(=O)C(C[C@H]1CNCCO1)(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C15H25NO7/c1-4-20-12(17)15(13(18)21-5-2,14(19)22-6-3)9-11-10-16-7-8-23-11/h11,16H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyFCVMTZQBJKJDDC-NSHDSACASA-N
XLogP0.04
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.04
H-Bond Donors ≤ 51
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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Related Compounds

ethyl 3-[(2S)-morpholin-2-yl]propanoate
CID 118409650
ethyl 2-[methyl(morpholin-2-ylmethyl)amino]pentanoate
CID 83049651
ethyl morpholine-2-carboxylate;dihydrochloride
CID 127258967
1-morpholin-2-ylbutan-2-one
CID 116586154
ethyl 5-bromo-2-methyl-1-(morpholin-2-ylmethyl)pyrrole-3-carboxylate
CID 168952545
N,N-diethyl-2-morpholin-2-ylacetamide
CID 66435692
ethyl 3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propanoate
CID 175401857
ethyl 1-(2-morpholin-2-ylacetyl)piperidine-2-carboxylate
CID 66427655
morpholin-2-ylmethyl N,N-dimethylcarbamate
CID 114469366
butyl 2-morpholin-2-ylacetate
CID 66434235
ethyl 4-(morpholin-2-ylmethoxy)benzoate
CID 19983185
bis(morpholin-2-ylmethyl) (Z)-but-2-enedioate
CID 66662905

Frequently Asked Questions

What is the IUPAC name of triethyl 2-[(2S)-morpholin-2-yl]ethane-1,1,1-tricarboxylate?
The IUPAC name of triethyl 2-[(2S)-morpholin-2-yl]ethane-1,1,1-tricarboxylate (CID 165157175) is triethyl 2-[(2S)-morpholin-2-yl]ethane-1,1,1-tricarboxylate.
What is the SMILES notation for triethyl 2-[(2S)-morpholin-2-yl]ethane-1,1,1-tricarboxylate?
The canonical SMILES for triethyl 2-[(2S)-morpholin-2-yl]ethane-1,1,1-tricarboxylate is CCOC(=O)C(C[C@H]1CNCCO1)(C(=O)OCC)C(=O)OCC.
What is the InChIKey of triethyl 2-[(2S)-morpholin-2-yl]ethane-1,1,1-tricarboxylate?
The InChIKey is FCVMTZQBJKJDDC-NSHDSACASA-N. The full InChI is InChI=1S/C15H25NO7/c1-4-20-12(17)15(13(18)21-5-2,14(19)22-6-3)9-11-10-16-7-8-23-11/h11,16H,4-10H2,1-3H3/t11-/m0/s1.
What are the key properties of triethyl 2-[(2S)-morpholin-2-yl]ethane-1,1,1-tricarboxylate?
triethyl 2-[(2S)-morpholin-2-yl]ethane-1,1,1-tricarboxylate has a molecular weight of 331.37 g/mol, XLogP of 0.04, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl 2-[(2S)-morpholin-2-yl]ethane-1,1,1-tricarboxylate is sourced from PubChem (CID 165157175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).