chempirical

4-Amino-N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanine

C14H20N2O4CAS 164332-89-2280.32 g/mol

Open in Covalent MOL file
OONHNH2OHO
Carboxylic acidPrimary amine

Properties

Molecular formula
C14H20N2O4
Molar mass
280.32 g/mol
Exact mass
280.1423 Da
logP
1.99Crippen estimate
Polar surface area
105.1 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
4
Stereocentres
Rin 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
164332-89-2
SMILES
CC(C)(C)OC(O)=N[C@H](Cc1ccc(N)cc1)C(=O)O
InChIKey
NDMVQEZKACRLDP-LLVKDONJSA-N
InChI
InChI=1S/C14H20N2O4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8,15H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1

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Names and synonyms

4 names
  • D-Phenylalanine, 4-amino-N-[(1,1-dimethylethoxy)carbonyl]-
  • (2R)-3-(4-Aminophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
  • (R)-3-(4-Aminophenyl)-2-((tert-butoxycarbonyl)amino)propanoicacid
  • 4-Amino-N-((1,1-dimethylethoxy)carbonyl)-D-phenylalanine

Work with 4-Amino-N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Boc-4-amino-L-phenylalanine55533-24-9Enantiomer

Similar compounds

Boc-L-tyrosine3978-80-178 % similar N-[(1,1-Dimethylethoxy)carbonyl]-4-methyl-D-phenylalanine80102-27-877 % similar Boc-L-phenylalanine13734-34-476 % similar N-tert-Butoxycarbonyl-D-phenylalanine18942-49-976 % similar N-Boc-4-chloro-D-phenylalanine57292-44-175 % similar (2R)-2-(((tert-Butoxy)carbonyl)amino)-3-(4-fluorophenyl)propanoic acid57292-45-275 % similar N-tert-Butoxycarbonyl-4-iodo-L-phenylalanine62129-44-675 % similar 4-Cyano-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine131724-45-373 % similar

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

Same formula

ε-(Benzyloxycarbonyl)-L-lysine1155-64-2 Boc-(S)-3-amino-4-(4-pyridyl)-butyric acid219297-13-9 N-α-Benzyloxycarbonyl-L-lysine2212-75-1 Val-tyr3061-91-4 H-D-Lys(Z)-oh34404-32-5 Z-D-Lys-oh70671-54-4

Elsewhere

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