chempirical

Boc-orn-oh

C10H20N2O4CAS 21887-64-9232.28 g/mol

Open in Covalent MOL file
OONHNH2OHO
CarbamateCarboxylic acidPrimary amine

Properties

Molecular formula
C10H20N2O4
Molar mass
232.28 g/mol
Exact mass
232.1423 Da
logP
0.70Crippen estimate
Polar surface area
101.6 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
21887-64-9
SMILES
CC(C)(C)OC(=O)N[C@@H](CCCN)C(=O)O
InChIKey
AMPVNPYPOOQUJF-ZETCQYMHSA-N
InChI
InChI=1S/C10H20N2O4/c1-10(2,3)16-9(15)12-7(8(13)14)5-4-6-11/h7H,4-6,11H2,1-3H3,(H,12,15)(H,13,14)/t7-/m0/s1

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

Work with Boc-orn-oh

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-D-lys-oh106719-44-292 % similar (2S)-4-Amino-2-(((tert-butoxy)carbonyl)amino)butanoic acid25691-37-685 % similar (2S)-2,6-Bis((((tert-butoxy)carbonyl)amino))hexanoic acid2483-46-770 % similar Boc-D-glu(otbu)-oh104719-63-370 % similar Boc-L-aspartic acid 4-tert-butyl ester1676-90-067 % similar (2S)-N-Boc-amino-non-8-enoic acid300831-21-466 % similar Boc-L-glutamic acid2419-94-566 % similar Boc-beta-cyclohexyl-D-alanine monohydrate127095-92-564 % similar

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

Same formula

Piperazine adipate142-88-1 1,2-Bis(1,1-dimethylethyl) 1,2-hydrazinedicarboxylate16466-61-8

Elsewhere

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