(S)-2-Amino-2-methyl-4-phosphonobutanoic acid

C₅H₁₂NO₅PCAS 157381-42-5197.13 g/mol

Open in Covalent MOL file

Carboxylic acid Phosphonate Primary amine

Properties

Molecular formula: C₅H₁₂NO₅P
Molar mass: 197.13 g/mol
Exact mass: 197.0453 Da
logP: -0.64Crippen estimate
Polar surface area: 120.8 Å²
H-bond donors / acceptors: 4 / 3
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

157381-42-5

SMILES

C[C@](CCP(=O)(O)O)(C(=O)O)N

InChIKey

HONKEGXLWUDTCF-YFKPBYRVSA-N

InChI

InChI=1S/C5H12NO5P/c1-5(6,4(7)8)2-3-12(9,10)11/h2-3,6H2,1H3,(H,7,8)(H2,9,10,11)/t5-/m0/s1

Weigh it out

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

Work with (S)-2-Amino-2-methyl-4-phosphonobutanoic 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

Dl-isovaline465-58-751 % similar 2-Methylserine5424-29-351 % similar Isovaline595-39-151 % similar Isovaline595-40-451 % similar (2R)-2-Amino-2-methyl-4-pentenoic acid96886-56-550 % similar Dl-α-methylphenylalanine1132-26-944 % similar α-Methyl-D-phenylalanine17350-84-444 % similar α-Methyl-P-tyrosine658-48-041 % similar

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

Same formula

Ap576326-31-3

Elsewhere

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