L-Propargylglycine hcl

C5H8ClNO2CAS 198774-27-5149.57 g/mol

Open in Covalent MOL file
OOHNH2HCl
AlkyneCarboxylic acidPrimary amine

Properties

Molecular formula
C5H8ClNO2
Molar mass
149.57 g/mol
Exact mass
149.0244 Da
logP
-0.16Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
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
198774-27-5
SMILES
C#CC[C@@H](C(=O)O)N.Cl
InChIKey
UAMBUICGODABQY-WCCKRBBISA-N
InChI
InChI=1S/C5H7NO2.ClH/c1-2-3-4(6)5(7)8;/h1,4H,3,6H2,(H,7,8);1H/t4-;/m0./s1

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Names and synonyms

1 names
  • (S)-2-Aminopent-4-ynoic acid hydrochloride

Work with L-Propargylglycine 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.

DL-Propargylglycine64165-64-6Free base, stereo not defined L-Propargylglycine23235-01-0Free base

Similar compounds

(S)-(+)-2,3-Diaminopropionic acid hydrochloride1482-97-958 % similar DL-2,3-Diaminopropionic acid hydrochloride54897-59-558 % similar DL-2,3-Diaminopropionic acid hydrochloride6018-55-958 % similar (R)-(-)-2,3-Diaminopropionic acid hydrochloride6018-56-058 % similar (±)-Cysteine hydrochloride10318-18-056 % similar Cystine dihydrochloride30925-07-656 % similar D-Cysteine hydrochloride32443-99-556 % similar L-Cystine, hydrochloride (1:?)34760-60-656 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Morpholinecarbonyl chloride15159-40-7

Elsewhere

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