(3S)-3-(((tert-Butoxy)carbonyl)amino)butanoic acid

C₉H₁₇NO₄CAS 158851-30-0203.24 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₉H₁₇NO₄
Molar mass: 203.24 g/mol
Exact mass: 203.1158 Da
logP: 1.37Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

158851-30-0

SMILES

C[C@@H](CC(=O)O)NC(=O)OC(C)(C)C

InChIKey

PYNDHEONPQYIAN-LURJTMIESA-N

InChI

InChI=1S/C9H17NO4/c1-6(5-7(11)12)10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m0/s1

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

Names and synonyms

1 names

(S)-N-Boc-3-aminobutyric acid

Work with (3S)-3-(((tert-Butoxy)carbonyl)amino)butanoic 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-beta-homoleucine132549-43-066 % similar (R)-2-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid112695-98-448 % similar Boc-trans-4-aminocyclohexanol111300-06-248 % similar Boc-D-alpha-T-butylglycine124655-17-048 % similar (S)-3-((tert-Butoxycarbonyl)amino)-4-(4-nitrophenyl)butanoic acid127106-71-247 % similar N-Alpha-tert-Butyloxycarbonylaspartic acid beta-fluorenylmethyl ester129046-87-347 % similar (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid129460-09-947 % similar T-Boc-N-amido-peg1-acid1260092-44-147 % similar

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

Same formula

(R)-3-((tert-Butoxycarbonyl)amino)-2-methylpropanoic acid132696-45-8 tert-Butoxycarbonylamino-acetic acid ethyl ester14719-37-0 Boc-N-ethyl glycine149794-10-5 (3R)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid159991-23-8 Boc-N-methyl-L-alanine16948-16-6 (3R,4S)-tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylate186393-22-6 5-(1,1-Dimethylethyl) hydrogen L-glutamate2419-56-9 N-[(1,1-Dimethylethoxy)carbonyl]-2-methylalanine30992-29-1

Elsewhere

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