(S)-2-Acetamido-4-(tert-butoxy)-4-oxobutanoic acid

C10H17NO5CAS 117833-18-8231.25 g/mol

Open in Covalent MOL file
ONHOOOOH
AmideCarboxylic acidEster

Properties

Molecular formula
C10H17NO5
Molar mass
231.25 g/mol
Exact mass
231.1107 Da
logP
0.31Crippen estimate
Polar surface area
92.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4
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
117833-18-8
SMILES
CC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)O
InChIKey
NKNPTCBHHPHSEA-ZETCQYMHSA-N
InChI
InChI=1S/C10H17NO5/c1-6(12)11-7(9(14)15)5-8(13)16-10(2,3)4/h7H,5H2,1-4H3,(H,11,12)(H,14,15)/t7-/m0/s1

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

Names and synonyms

1 names
  • Ac-asp(otbu)-oh

Work with (S)-2-Acetamido-4-(tert-butoxy)-4-oxobutanoic 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

Ac-glu(otbu)-oh84192-88-178 % similar Boc-L-aspartic acid 4-tert-butyl ester1676-90-072 % similar Boc-L-aspartic acid 4-methyl ester59768-74-059 % similar Boc-D-asp(otbu)-oh dcha200334-95-858 % similar 4-tert-Butyl hydrogen L-aspartate3057-74-756 % similar (2R)-2-Amino-4-(tert-butoxy)-4-oxobutanoic acid64960-75-456 % similar Boc-D-glu(otbu)-oh104719-63-356 % similar Boc-lys(ac)-oh6404-26-855 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Boc-cis-4-hydroxy-D-proline135042-12-5 1-(1,1-Dimethylethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate13726-69-7 (2R,4S)-N-Alpha-T-butoxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid147266-92-0 4-Boc-2-morpholinecarboxylic acid189321-66-2 4-(tert-Butoxycarbonyl)morpholine-3-carboxylic acid212650-43-6 4-Boc-3(R)-morpholinecarboxylic acid869681-70-9 N-Boc-cis-4-hydroxy-L-proline87691-27-8 (R)-4-(tert-Butoxycarbonyl)morpholine-2-carboxylic acid884512-77-0

Elsewhere

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