Boc-3-Nitro-D-phenylalanine

C₁₄H₁₈N₂O₆CAS 158741-21-0310.31 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Nitro

Properties

Molecular formula: C₁₄H₁₈N₂O₆
Molar mass: 310.31 g/mol
Exact mass: 310.1165 Da
logP: 2.12Crippen estimate
Polar surface area: 118.8 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 5
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

158741-21-0

SMILES

CC(C)(C)OC(=O)N[C@H](CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)O

InChIKey

OWTGPXDXLMNQKK-LLVKDONJSA-N

InChI

InChI=1S/C14H18N2O6/c1-14(2,3)22-13(19)15-11(12(17)18)8-9-5-4-6-10(7-9)16(20)21/h4-7,11H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m1/s1

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Names and synonyms

1 names

Boc-D-3-nitrophenylalanine

Work with Boc-3-Nitro-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

Similar compounds

Boc-3-methyl-L-phenylalanine114873-06-268 % similar (R)-2-((tert-Butoxycarbonyl)amino)-3-(m-tolyl)propanoic acid114873-14-268 % similar Boc-3-(3-pyridyl)-L-alanine117142-26-460 % similar Boc-L-3,4-difluorophe198474-90-760 % similar Boc-D-4,4'-biphenylalanine128779-47-559 % similar Boc-L-4,4'-biphenylalanine147923-08-859 % similar Boc-D-phe-ONp16159-70-958 % similar Boc-4-iodo-D-phenylalanine176199-35-258 % similar

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

Same formula

Boc-L-3-nitrophenylalanine131980-29-5 2-[1.1-Dimethyl ethyl ethoxy carbonyl]amino-3-nitro benzoic acid ethyl ester136285-65-9 Boc-L-2-nitrophenylalanine185146-84-3 N-[(1,1-Dimethylethoxy)carbonyl]-L-alanine 4-nitrophenyl ester2483-49-0 N-(tert-Butoxycarbonyl)-4-nitro-L-phenylalanine33305-77-0

Elsewhere

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