chempirical

N-Formyl-L-valine

C6H11NO3CAS 4289-97-8145.16 g/mol

Open in Covalent MOL file
NHOOHO
Carboxylic acid

Properties

Molecular formula
C6H11NO3
Molar mass
145.16 g/mol
Exact mass
145.0739 Da
Melting point
148–149 °C
logP
0.68Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3
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
4289-97-8
SMILES
CC(C)[C@H](N=CO)C(=O)O
InChIKey
QBYYLBWFBPAOKU-YFKPBYRVSA-N
InChI
InChI=1S/C6H11NO3/c1-4(2)5(6(9)10)7-3-8/h3-5H,1-2H3,(H,7,8)(H,9,10)/t5-/m0/s1

Weigh it out

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

Names and synonyms

8 names
  • L-Valine, N-formyl-
  • Valine, N-formyl-, L-
  • Valine, N-formyl-
  • FVal
  • Formylvaline
  • N-Formylvaline
  • NSC 334343
  • (2S)-2-Formamido-3-methylbutanoic acid

Work with N-Formyl-L-valine

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-Formylalanine10512-86-460 % similar N-Acetyl-D-valine17916-88-052 % similar N-Acetylvaline3067-19-452 % similar Acetylvaline96-81-152 % similar N-Formyl-L-leucine6113-61-751 % similar N-(Methoxycarbonyl)-L-valine74761-42-547 % similar Glycyl-L-valine1963-21-946 % similar N-(2-Chloroacetyl)-L-valine2279-16-546 % similar

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

Same formula

Ethyl N,N-dimethyloxamate16703-52-9 Ethyl acetamidoacetate1906-82-7 N,N-Dimethylsuccinamic acid2564-95-6 4-Acetamidobutyric acid3025-96-5 4-Morpholineacetic acid3235-69-6 Ac-ala-ome3619-02-1 4-Aminotetrahydro-2H-pyran-4-carboxylic acid39124-20-4 Ethyl 3-(methylamino)-3-oxopropanoate71510-95-7

Elsewhere

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