chempirical

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. Search the SDS library

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

L-Alanine tert-butyl ester 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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