Boc-D-leu-oh H2O

C11H23NO5CAS 200937-17-3249.31 g/mol

Open in Covalent MOL file
OOHNHOOH2O
CarbamateCarboxylic acid

Properties

Molecular formula
C11H23NO5
Molar mass
249.31 g/mol
Exact mass
249.1576 Da
logP
1.19Crippen estimate
Polar surface area
107.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
200937-17-3
SMILES
CC(C)C[C@H](C(=O)O)NC(=O)OC(C)(C)C.O
InChIKey
URQQEIOTRWJXBA-DDWIOCJRSA-N
InChI
InChI=1S/C11H21NO4.H2O/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5;/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14);1H2/t8-;/m1./s1

Weigh it out

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Names and synonyms

1 names
  • D-Leucine, N-[(1,1-dimethylethoxy)carbonyl]-, monohydrate

Work with Boc-D-leu-oh H2O

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-L-leucine13139-15-6Anhydrous, enantiomer tert-Butoxycarbonyl-D-leucine16937-99-8Anhydrous Boc-Leu-OH monohydrate200936-87-4Enantiomer

Similar compounds

Boc-gly-leu-oh51871-42-271 % similar Boc-beta-cyclohexyl-D-alanine monohydrate127095-92-564 % similar (2S)-2-(((tert-Butoxy)carbonyl)amino)-3-cyclohexylpropanoic acid37736-82-664 % similar Boc-D-abu-oh45121-22-064 % similar (R)-2-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid112695-98-463 % similar Boc-L-aspartic acid 4-tert-butyl ester1676-90-063 % similar N-tert-Butyloxycarbonylcysteine20887-95-063 % similar Boc-ser(me)-oh51293-47-163 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,1-Dimethylethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate139115-92-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook