5-(Carbobenzoxyamino)valeric acid

C₁₃H₁₇NO₄CAS 23135-50-4251.28 g/mol

Open in Covalent MOL file

Carbamate Carboxylic 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 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 7

Hazards

Warning

H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

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)

Weigh it out

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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 Benzyl N-(2-hydroxyethyl)carbamate77987-49-663 % 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 Fmoc-6-aminohexanoic acid88574-06-561 % similar Carbobenzoxyglycylglycine2566-19-061 % 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 (S)-2-(((Benzyloxy)carbonyl)amino)pentanoic acid21691-44-1 Alibendol26750-81-2

Elsewhere

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