1-Methyl hydrogen D-aspartate

C₅H₉NO₄CAS 65414-78-0147.13 g/mol

Open in Covalent MOL file

Alcohol Carboxylic Acid Ester Primary Amine

Properties

Molecular formula: C₅H₉NO₄
Molar mass: 147.13 g/mol
Exact mass: 147.0532 Da
logP: -1.04Crippen estimate
Polar surface area: 89.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Identifiers

CAS number

65414-78-0

SMILES

COC(=O)[C@H](N)CC(=O)O

InChIKey

SWWBMHIMADRNIK-GSVOUGTGSA-N

InChI

InChI=1S/C5H9NO4/c1-10-5(9)3(6)2-4(7)8/h3H,2,6H2,1H3,(H,7,8)/t3-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

D-Aspartic acid, 1-methyl ester

Work with 1-Methyl hydrogen D-aspartate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

Methyl L-aspartate17812-32-7 Aspartic acid β-methyl ester2177-62-0 Poly(L-glutamic acid)25513-46-6 N-Methyliminodiacetic acid4408-64-4 O-Acetylserine5147-00-2 Glutamic acid56-86-0 Glutamic acid617-65-2 N-Methyl-D-aspartic acid6384-92-5

Elsewhere

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