N-(tert-Butoxycarbonyl)iminodiacetic Acid

C₉H₁₅NO₆CAS 56074-20-5233.22 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₉H₁₅NO₆
Molar mass: 233.22 g/mol
Exact mass: 233.0899 Da
logP: 0.39Crippen estimate
Polar surface area: 104.1 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 4

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

56074-20-5

SMILES

CC(C)(C)OC(=O)N(CC(=O)O)CC(=O)O

InChIKey

QPGIJQUTGABQLQ-UHFFFAOYSA-N

InChI

InChI=1S/C9H15NO6/c1-9(2,3)16-8(15)10(4-6(11)12)5-7(13)14/h4-5H2,1-3H3,(H,11,12)(H,13,14)

Weigh it out

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Names and synonyms

1 names

Boc-iminodiacetic acid

Work with N-(tert-Butoxycarbonyl)iminodiacetic 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-N-ethyl glycine149794-10-581 % similar 4-Boc-1-piperazineacetic acid156478-71-674 % similar [(tert-Butoxycarbonyl)(methyl)amino]acetic acid13734-36-670 % similar tert-Butyl 3-oxoazetidine-1-carboxylate398489-26-465 % similar [1-(tert-Butoxycarbonyl)azetidin-3-yl]acetic acid183062-96-664 % similar 3-(4-(tert-Butoxycarbonyl)piperazin-1-yl)propanoic acid242459-97-862 % similar [1-(tert-Butoxycarbonyl)piperidin-4-yl]acetic acid157688-46-561 % similar ((Bis((1,1-dimethylethoxy)carbonyl)amino)oxy)acetic acid293302-31-560 % similar

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

Same formula

N-(tert-Butoxycarbonyl)-L-aspartic acid13726-67-5 Boc-D-aspartic acid62396-48-9

Elsewhere

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