chempirical

N-Formyl-L-aspartic acid

C5H7NO5CAS 19427-28-2161.11 g/mol

Open in Covalent MOL file
OHONHOOHO
Carboxylic acid

Properties

Molecular formula
C5H7NO5
Molar mass
161.11 g/mol
Exact mass
161.0324 Da
Melting point
127.5–128 °C
logP
-0.50Crippen estimate
Polar surface area
107.2 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
19427-28-2
SMILES
O=C(O)C[C@H](N=CO)C(=O)O
InChIKey
MQUUQXIFCBBFDP-VKHMYHEASA-N
InChI
InChI=1S/C5H7NO5/c7-2-6-3(5(10)11)1-4(8)9/h2-3H,1H2,(H,6,7)(H,8,9)(H,10,11)/t3-/m0/s1

Weigh it out

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

Names and synonyms

5 names
  • L-Aspartic acid, N-formyl-
  • Aspartic acid, N-formyl-, L-
  • N-Formylaspartic acid
  • (2S)-2-Formamidobutanedioic acid
  • (S)-2-Formamidosuccinic acid

Work with N-Formyl-L-aspartic acid

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

N-Formyl-L-leucine6113-61-757 % similar N-Acetylaspartic acid2545-40-653 % similar N-Acetyl-L-aspartic acid997-55-753 % similar N-Formylmethionine4289-98-953 % similar N-Formylmethionine4309-82-453 % similar N-Formyl-L-phenylalanine13200-85-651 % similar Glycyl-L-aspartic acid4685-12-550 % similar 1,2,3,4-Butanetetracarboxylic acid1703-58-848 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook