Methyl D-homoalaninate hcl

C5H12ClNO2CAS 85774-09-0153.61 g/mol

Open in Covalent MOL file
OONH2HCl
EsterPrimary amine

Properties

Molecular formula
C5H12ClNO2
Molar mass
153.61 g/mol
Exact mass
153.0557 Da
logP
0.32Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
85774-09-0
SMILES
CC[C@H](C(=O)OC)N.Cl
InChIKey
AHAQQEGUPULIOZ-PGMHMLKASA-N
InChI
InChI=1S/C5H11NO2.ClH/c1-3-4(6)5(7)8-2;/h4H,3,6H2,1-2H3;1H/t4-;/m1./s1

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Names and synonyms

1 names
  • Methyl (2R)-2-aminobutanoate hydrochloride

Work with Methyl D-homoalaninate 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(S)-Methyl 2-aminobutanoate hydrochloride56545-22-3Enantiomer

Similar compounds

L-Glutamine methyl ester hydrochloride32668-14-767 % similar D-Glutamine methyl ester hydrochloride74817-54-267 % similar 3-Chloro-D-alanine methyl ester,hydrochloride112346-82-466 % similar Methyl cysteinate hydrochloride18598-63-566 % similar Cystine dimethyl ester dihydrochloride32854-09-466 % similar Methyl DL-serinate hydrochloride5619-04-566 % similar Serine methyl ester hydrochloride5680-80-866 % similar Methyl D-serinate hydrochloride5874-57-766 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-Alanine ethyl ester hydrochloride1115-59-9 Methyl 4-aminobutyrate hydrochloride13031-60-2 (2S)-Morpholin-2-ylmethanol hydrochloride1313584-92-7 Propan-2-yl 2-aminoacetate hydrochloride14019-62-6 2-(Hydroxymethyl)morpholine hydrochloride144053-98-5 3-Dimethylaminopropionic acid hydrochloride14788-12-6 α-Aminoisobutyric acid methyl ester hydrochloride15028-41-8 (2S)-1,4-Dioxane-2-methanamine hydrochloride1523541-96-9

Elsewhere

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