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Ethyl 2-(ethoxycarbonylamino)acetate

HCID 226277
NotesReactions
Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
999-30-4
Standard SMILES
CCOC(=O)CNC(=O)OCC
InChIKey
ORKAHUKYJCNDDI-UHFFFAOYSA-N
Molecular formula
C7H13NO4
Average molar mass
175.18 g/mol
Monoisotopic mass
175.0844579

Names & identifiers

Preferred name
Ethyl 2-(ethoxycarbonylamino)acetate
IUPAC
ethyl 2-(ethoxycarbonylamino)acetate
English name
ethyl 2-(ethoxycarbonylamino)acetate
Molecular formula
C7H13NO4
Molecular weight
175.18

Names & synonyms

ethyl 2-(ethoxycarbonylamino)acetate6356-97-4RefChem:342509DTXCID70231521DTXSID20280367999-30-4ETHYL (ETHOXYCARBONYL)METHYLCARBAMATEMFCD00087131Ethyl 2-((ethoxycarbonyl)amino)acetateethyl [(ethoxycarbonyl)amino]acetateETHYL 2-[(ETHOXYCARBONYL)AMINO]ACETATENSC16588
Show more names
ethyl ethoxycarbonylglycinateGlycine, N-(ethoxycarbonyl)-, ethyl ester
Ethyl (ethoxycarbonyl)glycinateSCHEMBL2482646ORKAHUKYJCNDDI-UHFFFAOYSA-NDTXSID301045274N-ethoxycarbonylglycine ethyl esterAB7203NSC-16588Ethyl2-((ethoxycarbonyl)amino)acetate

Database identifiers

CAS
999-30-4
PubChem CID
226277
DTXSID
DTXSID301045274

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
64.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
12
Formal charge
0
Complexity
157

Physicochemical properties

Boiling point
133 · 133-134 °C(Press: 14 Torr)
Density
1.095 · 1.095±0.06 g/cm3(Predicted)
pka
11.16 · 11.16±0.46(Predicted)

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Ethyl isothiocyanatoacetateEthyl chloroformateCarbon disulfideDiethyl etherethyl glycinate

Suppliers1 total

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

Related reactions

8 records
New reaction record
HRID 45093 reaction equation
HRID 45093As reactantuspto-grants-2013_09
HRID 450240 reaction equation
HRID 450240As reactantuspto-grants-2013_07
HRID 453161 reaction equation
HRID 453161As reactantuspto-grants-2013_07
HRID 884552 reaction equation
HRID 884552As reactantuspto-grants-2012_08
HRID 1648761 reaction equation
HRID 1648761As reactantuspto-grants-1983_11
HRID 1887588 reaction equation
HRID 1887588As reactantuspto-grants-2013_08
HRID 1971361 reaction equation
HRID 1971361As reactantuspto-grants-2013_04
HRID 2160500 reaction equation
HRID 2160500As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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