(2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid

C9H17NO4CAS 34306-42-8203.24 g/mol

Open in Covalent MOL file
NHOOOHO
Carboxylic acid

Properties

Molecular formula
C9H17NO4
Molar mass
203.24 g/mol
Exact mass
203.1158 Da
logP
1.58Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
34306-42-8
SMILES
CC[C@H](N=C(O)OC(C)(C)C)C(=O)O
InChIKey
PNFVIPIQXAIUAY-LURJTMIESA-N
InChI
InChI=1S/C9H17NO4/c1-5-6(7(11)12)10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m0/s1

Weigh it out

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

Names and synonyms

17 names · show all
  • Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2S)-
  • Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (S)-
  • Butyric acid, 2-(carboxyamino)-, N-tert-butyl ester, L-
  • N-tert-Butoxycarbonyl-L-α-aminobutyric acid
  • N-tert-Butoxycarbonyl-L-α-aminobutanoic acid
  • (S)-2-(tert-Butoxycarbonylamino)butyric acid
  • BOC-L-α-Aminobutyric acid
  • N-(tert-Butoxycarbonyl) 2(S)-aminobutyric acid
  • NSC 335382
  • 2-(2S)-[(tert-Butoxycarbonyl)amino]butyric acid
  • (2S)-2-(tert-Butoxycarbonylamino)butanoic acid
  • (S)-2-(((tert-Butoxy)carbonyl)amino)butanoic acid
  • (2S)-2-[[[(1,1-Dimethylethyl)oxy]carbonyl]amino]butanoic acid
  • (S)-2-(Boc-amino)butanoic acid
  • (2S)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]butanoic acid
  • (2S)-2-[(tert-Butoxycarbonyl)amino]butanoic acid
  • (2S)-2-[[(tert-Butoxy)carbonyl]amino]butanoic acid

Work with (2S)-2-[[(1,1-Dimethylethoxy)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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Boc-D-abu-oh45121-22-0Enantiomer

Similar compounds

Boc-L-serine3262-72-473 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-serine6368-20-373 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-L-serine13734-38-871 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-norleucine55674-63-070 % similar N-tert-Butoxycarbonyl-L-norleucine6404-28-070 % similar Boc-L-leucine13139-15-669 % similar N-(tert-Butoxycarbonyl)-L-aspartic acid13726-67-569 % similar tert-Butoxycarbonyl-D-leucine16937-99-869 % 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 Acetyl-DL-carnitine14992-62-2 (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

Elsewhere

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