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Methyl ((benzyloxycarbonyl)amino)(methoxy)acetate

HCID 10243965
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Basic information

CAS
58237-86-8
Standard SMILES
COC(=O)C(NC(=O)OCc1ccccc1)OC
InChIKey
NNBQAZBSJUATDO-UHFFFAOYSA-N
Molecular formula
C12H15NO5
Average molar mass
253.25 g/mol
Monoisotopic mass
253.09502258

Names & identifiers

Preferred name
Methyl ((benzyloxycarbonyl)amino)(methoxy)acetate
IUPAC
methyl 2-methoxy-2-(phenylmethoxycarbonylamino)acetate
English name
Methyl ((benzyloxycarbonyl)amino)(methoxy)acetate
Molecular formula
C12H15NO5
Molecular weight
253.25

Names & synonyms

58237-86-8Methyl ((benzyloxycarbonyl)amino)(methoxy)acetateMethyl 2-(Cbz-amino)-2-methoxyacetateMethyl 2-(((benzyloxy)carbonyl)amino)-2-methoxyacetateMFCD08272864methyl 2-methoxy-2-(phenylmethoxycarbonylamino)acetateMethyl 2-(benzyloxycarbonylamino)-2-methoxyacetateMETHYL 2-{[(BENZYLOXY)CARBONYL]AMINO}-2-METHOXYACETATEAcetic acid, methoxy[[(phenylmethoxy)carbonyl]amino]-, methyl esterMETHYL 2-[[(BENZYLOXY)CARBONYL]AMINO]-2-METHOXYACETATESCHEMBL1896763DTXSID30437264
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Z-GLY(OME)-OME2-methoxy-2-(phenylmethoxycarbonylamino)acetic acid methyl esterAcetic acid, 2-methoxy-2-[[(phenylmethoxy)carbonyl]amino]-, methyl ester
NNBQAZBSJUATDO-UHFFFAOYSA-NAKOS015889698SY266118DB-012350DB-220973CS-0453884G61786N-carbobenzoxy-alpha-methoxyglycine methyl ester

Database identifiers

CAS
58237-86-8
PubChem CID
10243965
DTXSID
DTXSID30437264
Nikkaji
J2.057.105E

Properties

Computed structural propertiesFilling in

XLogP
1.3
Topological polar surface area
73.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
18
Formal charge
0
Complexity
276

Physicochemical properties

Melting point
76 · 76-79 °C
Boiling point
401.8 · 401.8±45.0 °C(Predicted)
Density
1.201 · 1.201±0.06 g/cm3(Predicted)
pka
9.68 · 9.68±0.46(Predicted)

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