chempirical

N-((1,1-Dimethylethoxy)carbonyl)-2-methyl-alanine

C9H17NO4CAS 30992-29-1203.24 g/mol

Open in Covalent MOL file
OONHOOH
Carboxylic acid

Properties

Molecular formula
C9H17NO4
Molar mass
203.24 g/mol
Exact mass
203.1158 Da
Melting point
116–117 °C
logP
1.58Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
30992-29-1
SMILES
CC(C)(C)OC(O)=NC(C)(C)C(=O)O
InChIKey
MFNXWZGIFWJHMI-UHFFFAOYSA-N
InChI
InChI=1S/C9H17NO4/c1-8(2,3)14-7(13)10-9(4,5)6(11)12/h1-5H3,(H,10,13)(H,11,12)

Weigh it out

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

Names and synonyms

28 names · show all
  • N-[(1,1-Dimethylethoxy)carbonyl]-2-methylalanine
  • Alanine, N-[(1,1-dimethylethoxy)carbonyl]-2-methyl-
  • Alanine, N-carboxy-2-methyl-, N-tert-butyl ester
  • N-tert-Butoxycarbonyl-α-aminoisobutyric acid
  • 2-(tert-Butoxycarbonylamino)isobutyric acid
  • 2-(tert-Butoxycarboxylamino)-2-methylpropanoic acid
  • N-(tert-Butyloxycarbonyl)-2-aminoisobutyric acid
  • N-(tert-Butoxycarbonyl)-α-methylalanine
  • N-BOC-α-methylalanine
  • N-tert-Butoxycarbonyl-2-aminoisobutyric acid
  • N-tert-Butoxycarbonyl-2-methylalanine
  • N-(tert-Butoxycarbonyl)-2,2-dimethylglycine
  • N-BOC-2-aminoisobutyric acid
  • 2-[(tert-Butoxycarbonyl)amino]-2-methylpropionic acid
  • N-Boc-2,2-dimethylglycine
  • 2-(tert-Butyloxycarbonylamino)isobutanoic acid
  • α-(Bocamino)isobutyric acid
  • 2-(((tert-Butoxy)carbonyl)amino)-2-methylpropanoic acid
  • N-Boc-2-methylalanine
  • 2-(Boc-amino)isobutyric acid
  • N-Boc-α,α-dimethylglycine
  • Boc-2-methylalanine
  • 2-(tert-Butoxycarbonylamino)isobutanoic acid
  • N-Boc-2-amino-2-methylpropanoic acid
  • 2-Methyl-2-((t-butyloxycarbonyl)amino)propionic acid
  • Boc-α-methylalanine
  • Boc-aminoisobutyric acid
  • 2-Methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Work with N-((1,1-Dimethylethoxy)carbonyl)-2-methyl-alanine

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

1-[(tert-Butoxycarbonyl)amino]cyclopropanecarboxylic acid88950-64-565 % similar 1-tert-Butoxycarbonylaminocyclopentanecarboxylic acid35264-09-661 % similar N-[(1,1-Dimethylethoxy)carbonyl]-2-methyl-L-serine84311-19-359 % similar 4-[[(1,1-Dimethylethoxy)carbonyl]amino]tetrahydro-2H-pyran-4-carboxylic acid172843-97-958 % similar (1R,2S)-1-(((1,1-Dimethylethoxy)carbonyl)amino)-2-ethenylcyclopropanecarboxylic acid159622-10-351 % similar 1,2-Bis(1,1-dimethylethyl) 1,2-hydrazinedicarboxylate16466-61-850 % similar Di-tert-butyl-iminodicarboxylate51779-32-950 % similar N,O-Bis(tert-butoxycarbonyl)hydroxylamine85006-25-347 % 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 (3S)-3-(((tert-Butoxy)carbonyl)amino)butanoic acid158851-30-0 (R)-3-((tert-Butoxycarbonyl)amino)butanoic acid159991-23-8 Boc-N-methyl-L-alanine16948-16-6 (3R,4S)-tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylate186393-22-6 (S)-3-(Boc-amino)-2-methylpropionic acid190897-47-3

Elsewhere

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