2-Acetamido-2-(hydroxymethyl)propanedioic acid diethyl ester
Basic information
- CAS
6267-40-9- Standard SMILES
CCOC(=O)C(CO)(NC(C)=O)C(=O)OCC- InChIKey
ZJJNFDMJQOSWEJ-UHFFFAOYSA-N- Molecular formula
- C10H17NO6
- Average molar mass
- 247.24 g/mol
- Monoisotopic mass
- 247.10558726
Overview
2-acetamido-2-(hydroxymethyl)propanedioic acid diethyl ester is a N-acyl-amino acid.
Names & identifiers
- Preferred name
- 2-Acetamido-2-(hydroxymethyl)propanedioic acid diethyl ester
- IUPAC
- diethyl 2-acetamido-2-(hydroxymethyl)propanedioate
- English name
- Propanedioicacid, 2-(acetylamino)-2-(hydroxymethyl)-, 1,3-diethyl ester
- Molecular formula
- C10H17NO6
- Molecular weight
- 247.24508
Names & synonyms
6267-40-9diethyl 2-acetamido-2-(hydroxymethyl)propanedioate2-acetamido-2-(hydroxymethyl)propanedioic acid diethyl esterNSC37999MLS000057747CHEMBL1530779REGID_for_CID_235997DTXSID40284605CHEBI:105517HMS2323L05NSC-37999AKOS034450796
Show more names
Propanedioicacid, 2-(acetylamino)-2-(hydroxymethyl)-, 1,3-diethyl ester
SMR000059905Diethyl acetamido(hydroxymethyl)propanedioatediethyl 2-(acetylamino)-2-(hydroxymethyl)malonateQ27183262Z567557392-acetamido-2-(hydroxymethyl)-propanedioic acid diethyl ester
Database identifiers
- CAS
6267-40-9- PubChem CID
- 235997
- DTXSID
DTXSID40284605- ChEMBL
CHEMBL1530779- ChEBI
CHEBI:105517
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
Chemistry & industry
Additional notes
DefinitionChEBI: 2-acetamido-2-(hydroxymethyl)propanedioic acid diethyl ester is a N-acyl-amino acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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