chempirical

N-Acetyl-dl-serine

C5H9NO4CAS 97-14-3147.13 g/mol

Open in Covalent MOL file
ONHOHOOH
AlcoholCarboxylic acid

Properties

Molecular formula
C5H9NO4
Molar mass
147.13 g/mol
Exact mass
147.0532 Da
Melting point
131–132 °C
logP
-0.59Crippen estimate
Polar surface area
90.1 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3

Identifiers

CAS number
97-14-3
SMILES
CC(O)=NC(CO)C(=O)O
InChIKey
JJIHLJJYMXLCOY-UHFFFAOYSA-N
InChI
InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)

Weigh it out

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

Names and synonyms

6 names
  • Serine, N-acetyl-
  • Serine, N-acetyl-, DL-
  • DL-Serine, N-acetyl-
  • N-Acetylserine
  • NSC 525646
  • 2-Acetamido-3-hydroxypropanoic acid

Work with N-Acetyl-dl-serine

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

Similar compounds

2-(Acetylamino)butanoic acid7211-57-670 % similar N,N′-Diacetyl-L-cystine5545-17-566 % similar N-Acetyl-L-cysteine616-91-166 % similar N-Acetyl-L-leucine1188-21-264 % similar N-Acetylaspartic acid2545-40-664 % similar Acetylleucine99-15-064 % similar N-Acetyl-L-aspartic acid997-55-764 % similar N-Acetyl-L-glutamic acid1188-37-060 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook