tert-butyl 3-(2,2-dimethylpropanoyl)morpholine-4-carboxylate

C14H25NO4 — CID 103553976

IUPACtert-butyl 3-(2,2-dimethylpropanoyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1C(=O)C(C)(C)C
InChIInChI=1S/C14H25NO4/c1-13(2,3)11(16)10-9-18-8-7-15(10)12(17)19-14(4,5)6/h10H,7-9H2,1-6H3
InChIKeyAIZFTFNLQZCRTH-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.24
Rot. Bonds1

About tert-butyl 3-(2,2-dimethylpropanoyl)morpholine-4-carboxylate

tert-butyl 3-(2,2-dimethylpropanoyl)morpholine-4-carboxylate (PubChem CID 103553976) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl 3-(2,2-dimethylpropanoyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2,2-dimethylpropanoyl)morpholine-4-carboxylate
PubChem CID103553976
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nametert-butyl 3-(2,2-dimethylpropanoyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1C(=O)C(C)(C)C
InChIInChI=1S/C14H25NO4/c1-13(2,3)11(16)10-9-18-8-7-15(10)12(17)19-14(4,5)6/h10H,7-9H2,1-6H3
InChIKeyAIZFTFNLQZCRTH-UHFFFAOYSA-N
XLogP2.24
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate
CID 22309118
tert-butyl 3-(2-cyanoacetyl)morpholine-4-carboxylate
CID 76668092
(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-3-carboxylic acid
CID 126623302
tert-butyl 3-nonanoylmorpholine-4-carboxylate
CID 103554093
tert-butyl 3-(2-hydroxypropan-2-yl)morpholine-4-carboxylate
CID 155289654
tert-butyl 2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate
CID 15309799
tert-butyl 3-(3,5-difluorobenzoyl)morpholine-4-carboxylate
CID 103553945
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
tert-butyl 3-hex-5-enoylmorpholine-4-carboxylate
CID 103553978
tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride
CID 84819306
tert-butyl 3-[2-(furan-3-yl)acetyl]morpholine-4-carboxylate
CID 103554111
tert-butyl 3-(pyrazine-2-carbonyl)morpholine-4-carboxylate
CID 103554099

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2,2-dimethylpropanoyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-(2,2-dimethylpropanoyl)morpholine-4-carboxylate (CID 103553976) is tert-butyl 3-(2,2-dimethylpropanoyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-(2,2-dimethylpropanoyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-(2,2-dimethylpropanoyl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOCC1C(=O)C(C)(C)C.
What is the InChIKey of tert-butyl 3-(2,2-dimethylpropanoyl)morpholine-4-carboxylate?
The InChIKey is AIZFTFNLQZCRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-13(2,3)11(16)10-9-18-8-7-15(10)12(17)19-14(4,5)6/h10H,7-9H2,1-6H3.
What are the key properties of tert-butyl 3-(2,2-dimethylpropanoyl)morpholine-4-carboxylate?
tert-butyl 3-(2,2-dimethylpropanoyl)morpholine-4-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2,2-dimethylpropanoyl)morpholine-4-carboxylate is sourced from PubChem (CID 103553976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).