N-(5-Amino-1-carboxypentyl)iminodiacetic acid

C₁₀H₁₈N₂O₆CAS 113231-05-3262.26 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine Tertiary amine

Properties

Molecular formula: C₁₀H₁₈N₂O₆
Molar mass: 262.26 g/mol
Exact mass: 262.1165 Da
logP: -0.96Crippen estimate
Polar surface area: 141.2 Å²
H-bond donors / acceptors: 4 / 5
Rotatable bonds: 10
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

113231-05-3

SMILES

NCCCC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O

InChIKey

SYFQYGMJENQVQT-ZETCQYMHSA-N

InChI

InChI=1S/C10H18N2O6/c11-4-2-1-3-7(10(17)18)12(5-8(13)14)6-9(15)16/h7H,1-6,11H2,(H,13,14)(H,15,16)(H,17,18)/t7-/m0/s1

Weigh it out

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

Names and synonyms

9 names

L-Lysine, N2,N2-bis(carboxymethyl)-
N2,N2-Bis(carboxymethyl)-L-lysine
Lysine-N,N-diacetic acid
53: PN: WO2004025259 PAGE: 47 claimed protein
4: PN: WO2004072260 PAGE: 12 claimed protein
1: PN: US20050123932 PAGE: 1 claimed protein
AB-NTA
13: PN: US20080160089 PAGE: 30 claimed protein
(S)-2,2′-((5-Amino-1-carboxypentyl)azanediyl)diacetic acid

Work with N-(5-Amino-1-carboxypentyl)iminodiacetic acid

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

L-Lysine-L-aspartate27348-32-952 % similar Lysine glutamate5408-52-652 % similar Glycine, N,N′-trans-1,2-cyclohexanediylbis[N-(carboxymethyl)-, hydrate123333-90-450 % similar Rel-N,N′-(1R,2R)-1,2-Cyclohexanediylbis[N-(carboxymethyl)glycine hydrate (1:1)125572-95-450 % similar trans-1,2-Diaminocyclohexane-N,N,N′,N′-tetraacetic acid13291-61-750 % similar Polylysine25104-18-150 % similar 1,2-Diaminocyclohexane-N,N,N',N'-tetraacetic acid482-54-250 % similar L-Lysine56-87-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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