chempirical

Ap5

C5H12NO5PCAS 76326-31-3197.13 g/mol

Open in Covalent MOL file
NH2POOHOHOHO
Carboxylic acidPhosphonatePrimary amine

Properties

Molecular formula
C5H12NO5P
Molar mass
197.13 g/mol
Exact mass
197.0453 Da
logP
-0.64Crippen estimate
Polar surface area
120.8 Ų
H-bond donors / acceptors
4 / 3
Rotatable bonds
5

Identifiers

CAS number
76326-31-3
SMILES
NC(CCCP(=O)(O)O)C(=O)O
InChIKey
VOROEQBFPPIACJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)

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Names and synonyms

15 names · show all
  • DL-2-Amino-5-phosphonopentanoic acid
  • AP 5 (amino acid)
  • 2-Amino-5-phosphonovaleric acid
  • 2-Amino-5-phosphonopentanoic acid
  • 2-APV
  • APV
  • 2-Azaniumyl-5-phosphonopentanoate
  • Norvaline, 5-phosphono-
  • DL-Norvaline, 5-phosphono-
  • 5-Phosphononorvaline
  • DL-2-Amino-5-phosphonovaleric acid
  • (±)-2-Amino-5-phosphonovaleric acid
  • (±)-2-Amino-5-phosphonopentanoic acid
  • 5-Phosphono-DL-norvaline
  • AP 5

Work with Ap5

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

2-Amino-4-phosphonobutanoic acid20263-07-480 % similar (2S)-2-Amino-4-phosphonobutanoic acid23052-81-580 % similar 2-Amino-3-phosphonopropionic acid20263-06-366 % similar Diaminopimelic acid583-93-766 % similar Ornithine70-26-858 % similar Polylysine25104-18-156 % similar D-Norleucine327-56-056 % similar Norleucine327-57-156 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia