N-(tert-Butoxycarbonyl)iminodiacetic Acid

C9H15NO6CAS 56074-20-5233.22 g/mol

Open in Covalent MOL file
OONOHOOOH
CarbamateCarboxylic 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 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

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

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

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 3-Oxo-azetidine-1-carboxylic acid tert-butyl ester398489-26-465 % 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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