Glycine, N,N′-trans-1,2-cyclohexanediylbis[N-(carboxymethyl)-, hydrate

C₁₄H₂₄N₂O₉CAS 123333-90-4364.35 g/mol

Open in Covalent MOL file

Carboxylic acid Tertiary amine

Properties

Molecular formula: C₁₄H₂₄N₂O₉
Molar mass: 364.35 g/mol
Exact mass: 364.1482 Da
logP: -1.58Crippen estimate
Polar surface area: 187.2 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 10
Stereocentres: S, Sin SMILES atom order

Identifiers

CAS number

123333-90-4

SMILES

O.O=C(O)CN(CC(=O)O)[C@H]1CCCC[C@@H]1N(CC(=O)O)CC(=O)O

InChIKey

VASZYFIKPKYGNC-RQOWPVKJNA-N

InChI

InChI=1/C14H22N2O8.H2O/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24;/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);1H2/t9-,10-;/s2

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Names and synonyms

1 names

Glycine, N,N′-1,2-cyclohexanediylbis[N-(carboxymethyl)-, hydrate, trans-

Work with Glycine, N,N′-trans-1,2-cyclohexanediylbis[N-(carboxymethyl)-, hydrate

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

trans-1,2-Diaminocyclohexane-N,N,N′,N′-tetraacetic acid13291-61-788 % similar 1,2-Diaminocyclohexane-N,N,N′,N′-tetraacetic acid482-54-288 % similar N-(5-Amino-1-carboxypentyl)iminodiacetic acid113231-05-350 % similar Nitrilotriacetic acid139-13-943 % similar Cyclopentaneacetic acid1123-00-842 % similar Pdta1939-36-242 % similar N,N′-[(1S)-1-Methyl-1,2-ethanediyl]bis[N-(carboxymethyl)glycine]15250-41-642 % similar 1,2-Diaminopropane-N,N,N′,N′-tetraacetic acid4408-81-542 % similar

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

Same formula

Rel-N,N′-(1R,2R)-1,2-cyclohexanediylbis[N-(carboxymethyl)glycine hydrate (1:1)125572-95-4

Elsewhere

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