5-Amino-4-oxopentanoic acid,phosphoric acid

C₅H₁₂NO₇PCAS 868074-65-1229.12 g/mol

Open in Covalent MOL file

Carboxylic acid Ketone Phosphate Primary amine

Properties

Molecular formula: C₅H₁₂NO₇P
Molar mass: 229.12 g/mol
Exact mass: 229.0351 Da
logP: -1.55Crippen estimate
Polar surface area: 158.1 Å²
H-bond donors / acceptors: 5 / 4
Rotatable bonds: 4

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

868074-65-1

SMILES

C(CC(=O)O)C(=O)CN.OP(=O)(O)O

InChIKey

XWNWBYZHOAIHTK-UHFFFAOYSA-N

InChI

InChI=1S/C5H9NO3.H3O4P/c6-3-4(7)1-2-5(8)9;1-5(2,3)4/h1-3,6H2,(H,8,9);(H3,1,2,3,4)

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Names and synonyms

1 names

Aminolevulinic acid phosphate

Work with 5-Amino-4-oxopentanoic acid,phosphoric 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.

5-Aminolevulinic acid106-60-5Free base Aminolevulinic acid hydrochloride5451-09-2Salt

Similar compounds

β-Ketoadipic acid689-31-648 % similar Glycine56-40-645 % similar Succinic acid110-15-644 % similar β-Alanine107-95-942 % similar Succinylacetone51568-18-442 % similar 3-Phosphonopropionic acid5962-42-541 % similar Glycine hydrochloride6000-43-741 % similar Diammonium succinate2226-88-240 % similar

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

Elsewhere

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