L-2,4-Diaminobutyric acid

C₄H₁₀N₂O₂CAS 1758-80-1118.14 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₄H₁₀N₂O₂
Molar mass: 118.14 g/mol
Exact mass: 118.0742 Da
Melting point: 216–218 °C
logP: -1.25Crippen estimate
Polar surface area: 89.3 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Hazards

Warning

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

Identifiers

CAS number

1758-80-1

SMILES

NCC[C@H](N)C(=O)O

InChIKey

OGNSCSPNOLGXSM-VKHMYHEASA-N

InChI

InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1

Weigh it out

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

Names and synonyms

9 names

Butanoic acid, 2,4-diamino-, (2S)-
Butyric acid, 2,4-diamino-, L-
Butanoic acid, 2,4-diamino-, (S)-
(2S)-2,4-Diaminobutanoic acid
L-α,γ-Diaminobutyric acid
L-2,4-Diaminobutanoic acid
(S)-2,4-Diaminobutyric acid
L-2,4-Diamino-n-butyric acid
L-DABA

Work with L-2,4-Diaminobutyric 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

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.

D-2,4-Diaminobutyric acid26908-94-1Enantiomer L-2,4-Diaminobutyric acid dihydrochloride1883-09-6Salt 2,4-Diaminobutyric acid dihydrochloride65427-54-5Salt, stereo not defined

Similar compounds

Ornithine70-26-877 % similar Polylysine25104-18-174 % similar L-Lysine56-87-174 % similar Lysine70-54-274 % similar D-Lysine923-27-374 % similar DL-ornithine hydrochloride1069-31-469 % similar (R)-Ornithine hydrochloride16682-12-569 % similar Ornithine hydrochloride3184-13-269 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Beta-(N-Methylamino)-L-alanine15920-93-1 N-(2-Aminoethyl)glycine24123-14-6 4-Hydroxybutyric acid hydrazide3879-08-1

Elsewhere

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