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.

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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

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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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