chempirical

5-(Carbobenzoxyamino)valeric acid

C13H17NO4CAS 23135-50-4251.28 g/mol

Open in Covalent MOL file
OOHNOOH
CarbamateCarboxylic acid

Properties

Molecular formula
C13H17NO4
Molar mass
251.28 g/mol
Exact mass
251.1158 Da
logP
2.17Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
7

Identifiers

CAS number
23135-50-4
SMILES
C1=CC=C(C=C1)COC(=O)NCCCCC(=O)O
InChIKey
QYYPKLYDFCYGPG-UHFFFAOYSA-N
InChI
InChI=1S/C13H17NO4/c15-12(16)8-4-5-9-14-13(17)18-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,14,17)(H,15,16)

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Work with 5-(Carbobenzoxyamino)valeric 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

Benzyl N-(3-hydroxypropyl)carbamate34637-22-467 % similar 16-(Benzyloxy)-16-oxohexadecanoic acid146004-98-063 % similar Fmoc-5-aminopentanoic acid123622-48-063 % similar N-Fmoc-8-aminooctanoic acid126631-93-461 % similar Fmoc-7-amino-heptanoic acid127582-76-761 % similar Carbobenzoxyglycylglycine2566-19-061 % similar H-D-Lys(Z)-oh34404-32-560 % similar Benzyl N-(3-aminopropyl)carbamate hydrochloride17400-34-959 % similar

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

Same formula

5-Ethylpyridine-2,3-dicarboxylic acid diethyl ester105151-39-1 Benzyloxycarbonyl-L-valine1149-26-4 Boc-3-aminomethylbenzoic acid117445-22-4 Dipropyl isocinchomeronate136-45-8 Cbz-D-valine1685-33-2 N-[(Phenylmethoxy)carbonyl]norvaline21691-43-0 N-[(Phenylmethoxy)carbonyl]-L-norvaline21691-44-1 Alibendol26750-81-2

Elsewhere

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