7-(((tert-Butoxy)carbonyl)amino)heptanoic acid

C₁₂H₂₃NO₄CAS 60142-89-4245.32 g/mol

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Carbamate Carboxylic acid

Properties

Molecular formula: C₁₂H₂₃NO₄
Molar mass: 245.32 g/mol
Exact mass: 245.1627 Da
logP: 2.55Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 7

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

60142-89-4

SMILES

CC(C)(C)OC(=O)NCCCCCCC(=O)O

InChIKey

HJENAZQPOGVAEK-UHFFFAOYSA-N

InChI

InChI=1S/C12H23NO4/c1-12(2,3)17-11(16)13-9-7-5-4-6-8-10(14)15/h4-9H2,1-3H3,(H,13,16)(H,14,15)

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Names and synonyms

1 names

Boc-7-amino-heptanoic acid

Work with 7-(((tert-Butoxy)carbonyl)amino)heptanoic 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-11-aminoundecanoic acid10436-25-6100 % similar Boc-5-aminopentanoic acid27219-07-497 % similar 4-(((tert-Butoxy)carbonyl)amino)butanoic acid57294-38-988 % similar T-Boc-N-amido-peg1-acid1260092-44-168 % similar 21-(Boc-amino)-4,7,10,13,16,19-hexaoxaheneicosanoic acid882847-13-466 % similar tert-Butyl N-(6-hydroxyhexyl)carbamate75937-12-166 % similar tert-Butyl N-(4-hydroxybutyl)carbamate75178-87-963 % similar 3-(Boc-amino)-1-propanol58885-58-861 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(R)-2-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid112695-98-4 Boc-L-beta-homoleucine132549-43-0 (3R,4S)-3-(((tert-Butoxy)carbonyl)amino)-4-methylhexanoic acid218608-82-3 Boc-N-methyl-L-isoleucine52498-32-5 Boc-N-methyl-L-leucine53363-89-6 Boc-leu-ome63096-02-6 Di-tert-butyl iminodiacetate85916-13-8

Elsewhere

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