tert-butyl 2-(cyclopropylcarbamoyl)morpholine-4-carboxylate

C13H22N2O4 — CID 59494690

IUPACtert-butyl 2-(cyclopropylcarbamoyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(C(=O)NC2CC2)C1
InChIInChI=1S/C13H22N2O4/c1-13(2,3)19-12(17)15-6-7-18-10(8-15)11(16)14-9-4-5-9/h9-10H,4-8H2,1-3H3,(H,14,16)
InChIKeyHEHLGOHDZJLNSG-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.90
Rot. Bonds2

About tert-butyl 2-(cyclopropylcarbamoyl)morpholine-4-carboxylate

tert-butyl 2-(cyclopropylcarbamoyl)morpholine-4-carboxylate (PubChem CID 59494690) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is tert-butyl 2-(cyclopropylcarbamoyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(cyclopropylcarbamoyl)morpholine-4-carboxylate
PubChem CID59494690
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Nametert-butyl 2-(cyclopropylcarbamoyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(C(=O)NC2CC2)C1
InChIInChI=1S/C13H22N2O4/c1-13(2,3)19-12(17)15-6-7-18-10(8-15)11(16)14-9-4-5-9/h9-10H,4-8H2,1-3H3,(H,14,16)
InChIKeyHEHLGOHDZJLNSG-UHFFFAOYSA-N
XLogP0.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylate
CID 35549476
lithium (2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylate
CID 134859282
N-cyclopropylmorpholine-2-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde
CID 158221455
tert-butyl 2-(2,2-dicyano-1-methoxyethenyl)morpholine-4-carboxylate
CID 178068955
tert-butyl 2-[(3-fluoro-4-methylphenyl)carbamoyl]morpholine-4-carboxylate
CID 153400231
tert-butyl (2R)-2-[(4-cyano-2,5-difluorophenyl)carbamoyl]morpholine-4-carboxylate
CID 130221249
tert-butyl (3R)-3-(oxane-4-carbonylamino)piperidine-1-carboxylate
CID 53256460
tert-butyl 2-[1-[methyl(propan-2-yl)amino]ethenyl]morpholine-4-carboxylate
CID 123976217
tert-butyl (2R)-2-[(3-amino-5-fluoro-2-pyridinyl)carbamoyl]morpholine-4-carboxylate
CID 138710378
tert-butyl (3R)-3-(oxan-4-ylcarbamoylamino)pyrrolidine-1-carboxylate
CID 97212425
tert-butyl 2-(2-ethoxyprop-2-enoyl)morpholine-4-carboxylate
CID 162741113
tert-butyl 2-(5-methoxypentanoyl)morpholine-4-carboxylate
CID 57449676

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(cyclopropylcarbamoyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-(cyclopropylcarbamoyl)morpholine-4-carboxylate (CID 59494690) is tert-butyl 2-(cyclopropylcarbamoyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-(cyclopropylcarbamoyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-(cyclopropylcarbamoyl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC(C(=O)NC2CC2)C1.
What is the InChIKey of tert-butyl 2-(cyclopropylcarbamoyl)morpholine-4-carboxylate?
The InChIKey is HEHLGOHDZJLNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-13(2,3)19-12(17)15-6-7-18-10(8-15)11(16)14-9-4-5-9/h9-10H,4-8H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl 2-(cyclopropylcarbamoyl)morpholine-4-carboxylate?
tert-butyl 2-(cyclopropylcarbamoyl)morpholine-4-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(cyclopropylcarbamoyl)morpholine-4-carboxylate is sourced from PubChem (CID 59494690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).