chempirical

Dromos

C10H20ClNO4CAS 119793-66-7253.72 g/mol

Open in Covalent MOL file
OOOO−N+HCl
Carboxylic acidEsterQuaternary ammonium

Properties

Molecular formula
C10H20ClNO4
Molar mass
253.72 g/mol
Exact mass
253.1081 Da
Melting point
161–163 °C
logP
-0.42Crippen estimate
Polar surface area
66.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
119793-66-7
SMILES
CCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.Cl
InChIKey
KTFMPDDJYRFWQE-DDWIOCJRSA-N
InChI
InChI=1S/C10H19NO4.ClH/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4;/h8H,5-7H2,1-4H3;1H/t8-;/m1./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-(1-oxopropoxy)-, chloride (1:1), (2R)-
  • 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-(1-oxopropoxy)-, chloride, (R)-
  • 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-(1-oxopropoxy)-, chloride, (2R)-
  • ST 261
  • Levocarnitine propionate hydrochloride

Work with Dromos

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

(±)-Acetylcarnitine chloride2504-11-268 % similar Acetyl L-carnitine hydrochloride5080-50-268 % similar (S)-3-Carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride10017-44-451 % similar Carnitine chloride461-05-251 % similar L-(-)-Carnitine hydrochloride6645-46-151 % similar (±)-Carnitine461-06-344 % similar (+)-Carnitine541-14-044 % similar (-)-Carnitine541-15-144 % similar

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

Same formula

L-Glutamic acid 5-tert-butyl methyl ester hydrochloride6234-01-1

Elsewhere

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