2-Amino-4-phosphonobutanoic acid

C4H10NO5PCAS 20263-07-4183.10 g/mol

Open in Covalent MOL file
NH2POOHOHOHO
Carboxylic acidPhosphonatePrimary amine

Properties

Molecular formula
C4H10NO5P
Molar mass
183.10 g/mol
Exact mass
183.0297 Da
Melting point
229–231 °C
logP
-1.03Crippen estimate
Polar surface area
120.8 Ų
H-bond donors / acceptors
4 / 3
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 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
20263-07-4
SMILES
NC(CCP(=O)(O)O)C(=O)O
InChIKey
DDOQBQRIEWHWBT-UHFFFAOYSA-N
InChI
InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)

Weigh it out

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

Names and synonyms

12 names
  • Butanoic acid, 2-amino-4-phosphono-
  • Butyric acid, 2-amino-4-phosphono-
  • 2-Amino-4-phosphonobutyric acid
  • 3-Amino-3-carboxypropylphosphonic acid
  • AP 4
  • DL-2-Amino-4-phosphonobutyric acid
  • DL-(±)-2-Amino-4-phosphonobutyric acid
  • (±)-2-Amino-4-phosphonobutyric acid
  • (±)-2-Amino-4-phosphonobutanoic acid
  • DL-2-Amino-4-phosphonobutanoic acid
  • NSC 30079
  • NSC 354086

Work with 2-Amino-4-phosphonobutanoic 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.

(2S)-2-Amino-4-phosphonobutanoic acid23052-81-5Defined stereoisomer

Similar compounds

Ap576326-31-380 % similar 2-Amino-3-phosphonopropionic acid20263-06-370 % similar L-2,4-Diaminobutyric acid1758-80-160 % similar D-2,4-Diaminobutyric acid26908-94-160 % similar Diaminopimelic acid583-93-759 % similar Glufosinate-ammonium77182-82-257 % similar L-Cyclopropylalanine102735-53-555 % similar D-Cyclopropylalanine121786-39-855 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook