tert-butyl 3-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate

C12H22N2O5 — CID 22309118

IUPACtert-butyl 3-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate
SMILESCON(C)C(=O)C1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H22N2O5/c1-12(2,3)19-11(16)14-6-7-18-8-9(14)10(15)13(4)17-5/h9H,6-8H2,1-5H3
InChIKeyLIHPEZIUWNJQDZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.64
Rot. Bonds2

About tert-butyl 3-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate

tert-butyl 3-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate (PubChem CID 22309118) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is tert-butyl 3-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate
PubChem CID22309118
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Nametert-butyl 3-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate
SMILESCON(C)C(=O)C1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H22N2O5/c1-12(2,3)19-11(16)14-6-7-18-8-9(14)10(15)13(4)17-5/h9H,6-8H2,1-5H3
InChIKeyLIHPEZIUWNJQDZ-UHFFFAOYSA-N
XLogP0.64
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-(2,2-dimethylpropanoyl)morpholine-4-carboxylate
CID 103553976
tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate
CID 10635916
3-[methoxy(methyl)carbamoyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid
CID 90099642
tert-butyl 3-(2-cyanoacetyl)morpholine-4-carboxylate
CID 76668092
magnesium;tert-butyl (2S)-2-acetylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate;carbanide;oxolane;sulfane;bromide
CID 167558005
(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 3-(3,5-difluorobenzoyl)morpholine-4-carboxylate
CID 103553945
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
tert-butyl (4R)-4-methoxy-2-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate
CID 126608604
tert-butyl 3-[[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]morpholine-4-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid
CID 123334419

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate (CID 22309118) is tert-butyl 3-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate is CON(C)C(=O)C1COCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate?
The InChIKey is LIHPEZIUWNJQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-12(2,3)19-11(16)14-6-7-18-8-9(14)10(15)13(4)17-5/h9H,6-8H2,1-5H3.
What are the key properties of tert-butyl 3-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate?
tert-butyl 3-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate is sourced from PubChem (CID 22309118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).