chempirical

N-Formylalanine

C4H7NO3CAS 10512-86-4117.10 g/mol

Open in Covalent MOL file
NHOOHO
Carboxylic acid

Properties

Molecular formula
C4H7NO3
Molar mass
117.10 g/mol
Exact mass
117.0426 Da
Melting point
147–148 °C
Boiling point
83–86 °C (at 29 Torr)
logP
0.05Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
10512-86-4
SMILES
C[C@H](N=CO)C(=O)O
InChIKey
SRBATDDRZARFDZ-VKHMYHEASA-N
InChI
InChI=1S/C4H7NO3/c1-3(4(7)8)5-2-6/h2-3H,1H3,(H,5,6)(H,7,8)/t3-/m0/s1

Weigh it out

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

Names and synonyms

5 names
  • L-Alanine, N-formyl-
  • Alanine, N-formyl-, L-
  • N-Formyl-L-alanine
  • L-N-Formylalanine
  • (2S)-2-Formamidopropanoic acid

Work with N-Formylalanine

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-valine4289-97-860 % similar N-Formyl-L-leucine6113-61-755 % similar N-Acetylalanine1115-69-148 % similar N-Acetyl-D-alanine19436-52-348 % similar N-Acetyl-L-alanine97-69-848 % similar N-Formyl-L-aspartic acid19427-28-247 % similar N-Formylmethionine4289-98-946 % similar N-Formylmethionine4309-82-446 % similar

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

Same formula

3-Aminooxetane-3-carboxylic acid138650-24-5 Aceturic acid543-24-8 Ethyl oxamate617-36-7 Succinamic acid638-32-4

Elsewhere

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