N-Me-val-ome hcl

C7H16ClNO2CAS 3339-44-4181.66 g/mol

Open in Covalent MOL file
OONHHCl
EsterSecondary amine

Properties

Molecular formula
C7H16ClNO2
Molar mass
181.66 g/mol
Exact mass
181.0870 Da
logP
0.83Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
3339-44-4
SMILES
CC(C)[C@@H](C(=O)OC)NC.Cl
InChIKey
DLLHGHUMLSLOID-RGMNGODLSA-N
InChI
InChI=1S/C7H15NO2.ClH/c1-5(2)6(8-3)7(9)10-4;/h5-6,8H,1-4H3;1H/t6-;/m0./s1

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Work with N-Me-val-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 hydrochloride21685-47-253 % similar Methyl DL-valinate hydrochloride5619-05-653 % similar Methyl L-valinate hydrochloride6306-52-153 % similar Methyl D-valinate hydrochloride7146-15-853 % similar Boc-val-ome58561-04-948 % similar (±)-Alanine methyl ester hydrochloride13515-97-447 % similar (R)-2-Aminopropionic acid methyl ester hydrochloride14316-06-447 % similar Alanine methyl ester hydrochloride2491-20-547 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl alaninate hydrochloride13404-22-3 (S)-Valine ethyl ester hydrochloride17609-47-1 Methyl isoleucinate hydrochloride18598-74-8 L-Beta-homoisoleucine hydrochloride219310-10-8 (±)-Valine ethyl ester hydrochloride23358-42-1 L-Norvaline, ethyl ester, hydrochloride (1:1)40918-51-2 Sarcosine t-butyl ester hydrochloride5616-81-9 D-Leucine methyl ester hydrochloride5845-53-4

Elsewhere

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