Methyl (2S)-2-amino-3-cyclohexylpropanoate hydrochloride

C₁₀H₂₀ClNO₂CAS 17193-39-4221.72 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₁₀H₂₀ClNO₂
Molar mass: 221.72 g/mol
Exact mass: 221.1183 Da
logP: 1.88Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Hazards

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

17193-39-4

SMILES

COC(=O)[C@H](CC1CCCCC1)N.Cl

InChIKey

YLESODBCBYZUCT-FVGYRXGTSA-N

InChI

InChI=1S/C10H19NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h8-9H,2-7,11H2,1H3;1H/t9-;/m0./s1

Weigh it out

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Names and synonyms

1 names

H-Cha-ome hcl

Work with Methyl (2S)-2-amino-3-cyclohexylpropanoate hydrochloride

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

Leucine methyl ester hydrochloride7517-19-364 % similar Methyl L-lysinate dihydrochloride26348-70-963 % similar (S)-Methyl 2,5-diaminopentanoate dihydrochloride40216-82-861 % similar H-Chg-ome hcl14328-63-358 % similar L-Glutamine methyl ester hydrochloride32668-14-758 % similar 3-Chloro-D-alanine methyl ester,hydrochloride112346-82-457 % similar Methyl cysteinate hydrochloride18598-63-557 % similar Cystine dimethyl ester dihydrochloride32854-09-457 % similar

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

Same formula

(trans-4-Aminocyclohexyl)acetic acid ethyl ester hydrochloride76308-26-4

Elsewhere

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