(2S)-N-Boc-amino-non-8-enoic acid

C₁₄H₂₅NO₄CAS 300831-21-4271.36 g/mol

Open in Covalent MOL file

Alkene Carbamate Carboxylic acid

Properties

Molecular formula: C₁₄H₂₅NO₄
Molar mass: 271.36 g/mol
Exact mass: 271.1784 Da
logP: 3.10Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 8
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

300831-21-4

SMILES

CC(C)(C)OC(=O)N[C@@H](CCCCCC=C)C(=O)O

InChIKey

ZVCMWNFQYIQWSY-NSHDSACASA-N

InChI

InChI=1S/C14H25NO4/c1-5-6-7-8-9-10-11(12(16)17)15-13(18)19-14(2,3)4/h5,11H,1,6-10H2,2-4H3,(H,15,18)(H,16,17)/t11-/m0/s1

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Names and synonyms

1 names

8-Nonenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2S)-

Work with (2S)-N-Boc-amino-non-8-enoic 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-L-2-allylglycine dicyclohexylamine salt143979-15-172 % similar Boc-D-allylglycine170899-08-871 % similar Boc-D-lys-oh106719-44-268 % similar (2S)-2,6-Bis((((tert-butoxy)carbonyl)amino))hexanoic acid2483-46-768 % similar Boc-orn-oh21887-64-966 % similar Boc-D-glu(otbu)-oh104719-63-364 % similar Boc-D-asp(otbu)-oh dcha200334-95-863 % similar (2S)-4-Amino-2-(((tert-butoxy)carbonyl)amino)butanoic acid25691-37-662 % similar

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

Same formula

Boc-beta-cyclohexyl-D-alanine monohydrate127095-92-5 Ethyl 1-[(1,1-dimethylethoxy)carbonyl]-4-piperidineacetate135716-09-5 Ethyl N-boc-4-methylpiperidine-4-carboxylate189442-87-3 1,1-Dimethylethyl N-[(1S)-3-methyl-1-[[(2R)-2-methyl-2-oxiranyl]carbonyl]butyl]carbamate247068-82-2

Elsewhere

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