Diaminopimelic acid

C₇H₁₄N₂O₄CAS 583-93-7190.20 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₇H₁₄N₂O₄
Molar mass: 190.20 g/mol
Exact mass: 190.0954 Da
Melting point: above 305 °C
logP: -1.02Crippen estimate
Polar surface area: 126.6 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 6

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

583-93-7

SMILES

NC(CCCC(N)C(=O)O)C(=O)O

InChIKey

GMKMEZVLHJARHF-UHFFFAOYSA-N

InChI

InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)

Weigh it out

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

Names and synonyms

7 names

Heptanedioic acid, 2,6-diamino-
2,6-Diaminoheptanedioic acid
α,ε-Diaminopimelic acid
2,6-Diaminopimelic acid
α,α′-Diaminopimelic acid
NSC 45225
2,6-Bis(azaniumyl)heptanedioate

Work with Diaminopimelic 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

Ornithine70-26-876 % similar Polylysine25104-18-173 % similar D-Norleucine327-56-073 % similar Norleucine327-57-173 % similar L-Lysine56-87-173 % similar (±)-Norleucine616-06-873 % similar Lysine70-54-273 % similar D-Lysine923-27-373 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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