chempirical

N,N'-[(1S)-1-Methyl-1,2-ethanediyl]bis[N-(carboxymethyl)glycine]

C11H18N2O8CAS 15250-41-6306.27 g/mol

Open in Covalent MOL file
NOHOOOHNOOHOHO
Carboxylic acidTertiary amine

Properties

Molecular formula
C11H18N2O8
Molar mass
306.27 g/mol
Exact mass
306.1063 Da
logP
-1.68Crippen estimate
Polar surface area
155.7 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
11
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
15250-41-6
SMILES
C[C@@H](CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
InChIKey
XNCSCQSQSGDGES-ZETCQYMHSA-N
InChI
InChI=1S/C11H18N2O8/c1-7(13(5-10(18)19)6-11(20)21)2-12(3-8(14)15)4-9(16)17/h7H,2-6H2,1H3,(H,14,15)(H,16,17)(H,18,19)(H,20,21)/t7-/m0/s1

Weigh it out

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

Names and synonyms

7 names
  • N,N′-[(1S)-1-Methyl-1,2-ethanediyl]bis[N-(carboxymethyl)glycine]
  • Glycine, N,N′-[(1S)-1-methyl-1,2-ethanediyl]bis[N-(carboxymethyl)-
  • Acetic acid, (propylenedinitrilo)tetra-, (+)-
  • Glycine, N,N′-(1-methyl-1,2-ethanediyl)bis[N-(carboxymethyl)-, (S)-
  • (+)-1,2-Diaminopropanetetraacetic acid
  • d-1,2-Diaminopropanetetraacetic acid
  • (S)-PDTA

Work with N,N'-[(1S)-1-Methyl-1,2-ethanediyl]bis[N-(carboxymethyl)glycine]

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.

1,2-Diaminopropane-N,N,N',N'-tetraacetic acid4408-81-5Stereo not defined

Similar compounds

1,3-Diamino-2-hydroxypropane-N,N′,N′′,N′′′-tetraacetic acid3148-72-955 % similar Nitrilotriacetic acid139-13-952 % similar Dexrazoxane24584-09-651 % similar Ethylenediaminetetraacetic acid60-00-448 % similar Dota (chelator)60239-18-148 % similar Cardioxane149003-01-048 % similar Pentetic acid67-43-647 % similar Triethylenetetraminehexaacetic acid869-52-347 % similar

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

Same formula

PDTA1939-36-2

Elsewhere

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