H-Chg-ome hcl

C₉H₁₈ClNO₂CAS 14328-63-3207.70 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₉H₁₈ClNO₂
Molar mass: 207.70 g/mol
Exact mass: 207.1026 Da
logP: 1.49Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

14328-63-3

SMILES

COC(=O)[C@H](C1CCCCC1)N.Cl

InChIKey

ORJOGDRCFDWIIJ-QRPNPIFTSA-N

InChI

InChI=1S/C9H17NO2.ClH/c1-12-9(11)8(10)7-5-3-2-4-6-7;/h7-8H,2-6,10H2,1H3;1H/t8-;/m0./s1

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Names and synonyms

1 names

(S)-Methyl 2-amino-2-cyclohexylacetate hydrochloride

Work with H-Chg-ome hcl

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

Methyl D-valinate hydrochloride21685-47-259 % similar Methyl DL-valinate hydrochloride5619-05-659 % similar Methyl L-valinate hydrochloride6306-52-159 % similar Methyl D-valinate hydrochloride7146-15-859 % similar Methyl (2S)-2-amino-3-cyclohexylpropanoate hydrochloride17193-39-458 % similar Methyl isoleucinate hydrochloride18598-74-855 % similar Methyl L-threoninate hydrochloride39994-75-754 % similar Methyl L-lysinate dihydrochloride26348-70-954 % similar

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

Same formula

D-Proline tert-butyl ester hydrochloride184719-80-0 Methacryloyloxyethyltrimethylammonium chloride homopolymer26161-33-1 Methyl trans-4-(Aminomethyl)cyclohexanecarboxylate Hydrochloride29275-88-5 [2-(Methacryloyloxy)ethyl]trimethylammonium chloride5039-78-1 (S)-Proline tert-butyl ester hydrochloride5497-76-7

Elsewhere

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