tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)morpholine-4-carboxylate

C14H25NO5 — CID 122484559

IUPACtert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)morpholine-4-carboxylate
SMILESCCOC(=O)CC[C@@H]1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO5/c1-5-19-12(16)7-6-11-10-18-9-8-15(11)13(17)20-14(2,3)4/h11H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyTUYKROPQRWJHPC-LLVKDONJSA-N
MW287.36 g/mol
LogP1.97
Rot. Bonds4

About tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)morpholine-4-carboxylate

tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)morpholine-4-carboxylate (PubChem CID 122484559) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)morpholine-4-carboxylate
PubChem CID122484559
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Nametert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)morpholine-4-carboxylate
SMILESCCOC(=O)CC[C@@H]1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO5/c1-5-19-12(16)7-6-11-10-18-9-8-15(11)13(17)20-14(2,3)4/h11H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyTUYKROPQRWJHPC-LLVKDONJSA-N
XLogP1.97
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)morpholine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 4-(4-methoxy-4-oxobutan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 14523069
5-(tert-Butoxycarbonyl)-8-oxa-5-azaspiro[3.5]nonane-2-carboxylic acid
CID 56962180
(S)-3-Boc-2,2-dimethyloxazolidine-4-propanoic Acid
CID 10635974
Diethyl 2-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]ethyl]propanedioate
CID 124121406
Tert-butyl 4-(3-ethoxy-2-fluoro-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 72806404
tert-butyl (4R)-4-(3-ethoxy-2-fluoro-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 176223848
tert-butyl (4R)-4-[(2R)-3-ethoxy-2-fluoro-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 176649765
tert-butyl (4R)-4-[(2S)-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10881155
cis-1-tert-Butyl 2,4-diethyl azetidine-1,2,4-tricarboxylate
CID 127255801
Tert-butyl 3-(3-oxobutyl)morpholine-4-carboxylate
CID 164676514
tert-butyl (4S)-4-[(2S)-3-ethoxy-2-fluoro-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11336157
tert-butyl (4S)-4-(3-ethoxy-2,2-difluoro-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 102462910

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)morpholine-4-carboxylate (CID 122484559) is tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)morpholine-4-carboxylate is CCOC(=O)CC[C@@H]1COCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)morpholine-4-carboxylate?
The InChIKey is TUYKROPQRWJHPC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H25NO5/c1-5-19-12(16)7-6-11-10-18-9-8-15(11)13(17)20-14(2,3)4/h11H,5-10H2,1-4H3/t11-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)morpholine-4-carboxylate?
tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)morpholine-4-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)morpholine-4-carboxylate is sourced from PubChem (CID 122484559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).