Methyl ((tert-butoxy(hydroxy)methylidene)amino)(dimethoxyphosphoryl)acetate

C₁₀H₂₀NO₇PCAS 89524-98-1297.24 g/mol

Open in Covalent MOL file

Carbamate Ester Phosphonate

Properties

Molecular formula: C₁₀H₂₀NO₇P
Molar mass: 297.24 g/mol
Exact mass: 297.0977 Da
logP: 1.50Crippen estimate
Polar surface area: 100.2 Å²
H-bond donors / acceptors: 1 / 7
Rotatable bonds: 5

Hazards

Danger

H301 Toxic if swallowed83.3% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

89524-98-1

SMILES

CC(C)(C)OC(=O)NC(C(=O)OC)P(=O)(OC)OC

InChIKey

LJHAPRKTPAREGO-UHFFFAOYSA-N

InChI

InChI=1S/C10H20NO7P/c1-10(2,3)18-9(13)11-7(8(12)15-4)19(14,16-5)17-6/h7H,1-6H3,(H,11,13)

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Names and synonyms

1 names

(+/-)-Boc-alpha-phosphonoglycine trimethyl ester

Work with Methyl ((tert-butoxy(hydroxy)methylidene)amino)(dimethoxyphosphoryl)acetate

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-alanine methyl ester28875-17-457 % similar Boc-D-alanine methyl ester91103-47-857 % similar (+/-)-Benzyloxycarbonyl-alpha-phosphonoglycine trimethyl ester88568-95-055 % similar Boc-val-ome58561-04-955 % similar Methyl cis-3-(boc-amino)C...142733-63-953 % similar Methyl cis-4-(boc-amino)cyclohexanecarboxylate146307-51-952 % similar Boc-3-iodo-D-alanine methyl ester170848-34-752 % similar Boc-L-serine methyl ester2766-43-052 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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