2-(Boc-aminomethyl)phenylacetic acid

C14H19NO4CAS 40851-66-9265.31 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
2.34Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
40851-66-9
SMILES
CC(C)(C)OC(=O)NCC1=CC=CC=C1CC(=O)O
InChIKey
CGPQRFCFBISLKF-UHFFFAOYSA-N
InChI
InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-9-11-7-5-4-6-10(11)8-12(16)17/h4-7H,8-9H2,1-3H3,(H,15,18)(H,16,17)

Weigh it out

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

Work with 2-(Boc-aminomethyl)phenylacetic 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-(S)-3-amino-4-(1-naphthyl)-butyric acid219297-09-353 % similar 1,2-Benzenediacetic acid7500-53-053 % similar 4-[(tert-Butoxycarbonylamino)methyl]benzoic acid33233-67-951 % similar Boc-3-aminomethylbenzoic acid117445-22-450 % similar Boc-(R)-3-amino-4-(2-chloro-phenyl)-butyric acid218608-93-650 % similar Boc-(S)-3-Amino-4-(2-chlorophenyl)butyric acid218608-95-850 % similar (S)-3-(Boc-amino)-4-phenylbutyric acid51871-62-650 % similar 4-(((tert-Butoxy)carbonyl)amino)butanoic acid57294-38-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-N-Boc-3-amino-3-phenylpropanoic acid103365-47-5 Boc-L-phenylalanine13734-34-4 β-[[(1,1-Dimethylethoxy)carbonyl]amino]benzenepropanoic acid14676-01-8 N-Carbobenzoxy-dl-norleucine15027-13-1 (R)-N-Boc-3-amino-3-phenylpropanoic acid161024-80-2 N-tert-Butoxycarbonyl-D-phenylalanine18942-49-9 Diacetyl-N-phenyldiethanolamine19249-34-4 N-(Benzyloxycarbonyl)-6-aminohexanoic acid1947-00-8

Elsewhere

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