chempirical

(S)-N-Boc-3-amino-3-phenylpropanoic acid

C14H19NO4CAS 103365-47-5265.31 g/mol

Open in Covalent MOL file
OONHOHO
CarbamateCarboxylic acid

Properties

Molecular formula
C14H19NO4
Molar mass
265.31 g/mol
Exact mass
265.1314 Da
logP
2.73Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
103365-47-5
SMILES
CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C1=CC=CC=C1
InChIKey
JTNQFJPZRTURSI-NSHDSACASA-N
InChI
InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-11(9-12(16)17)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m0/s1

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Work with (S)-N-Boc-3-amino-3-phenylpropanoic 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

Boc-L-phenylglycinol117049-14-670 % similar N-Alpha-tert-Butyloxycarbonylaspartic acid beta-fluorenylmethyl ester129046-87-354 % similar Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-γ-phenyl-, (S)-190190-50-254 % similar Boc-L-beta-homoleucine132549-43-053 % similar tert-Butyl N-((2R)-1-hydroxy-3-phenylpropan-2-yl)carbamate106454-69-752 % similar Boc-L-homophenylalanine100564-78-152 % similar (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid129460-09-952 % similar Boc-N-beta-trityl-L-asparagine132388-68-251 % similar

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

Same formula

Boc-L-phenylalanine13734-34-4 β-[[(1,1-Dimethylethoxy)carbonyl]amino]benzenepropanoic acid14676-01-8 N-tert-Butoxycarbonyl-D-phenylalanine18942-49-9 Diacetyl-N-phenyldiethanolamine19249-34-4 N-(Benzyloxycarbonyl)-6-aminohexanoic acid1947-00-8 Benzyloxycarbonyl-L-leucine2018-66-8 Anisomycin22862-76-6 N-[(Phenylmethoxy)carbonyl]-L-isoleucine3160-59-6

Elsewhere

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