(2S)-2-Amino-4-phosphonobutanoic acid

C4H10NO5PCAS 23052-81-5183.10 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
logP
-1.03Crippen estimate
Polar surface area
120.8 Ų
H-bond donors / acceptors
4 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
23052-81-5
SMILES
N[C@@H](CCP(=O)(O)O)C(=O)O
InChIKey
DDOQBQRIEWHWBT-VKHMYHEASA-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)/t3-/m0/s1

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

Names and synonyms

11 names
  • Butanoic acid, 2-amino-4-phosphono-, (2S)-
  • Butyric acid, 2-amino-4-phosphono-, L-
  • Butanoic acid, 2-amino-4-phosphono-, (S)-
  • L-2-Amino-4-phosphonobutyric acid
  • L-(+)-2-Amino-4-phosphonobutyric acid
  • L-2-Amino-4-phosphonobutanoic acid
  • L-APB
  • (S)-2-Amino-4-phosphonobutanoic acid
  • S-(+)-2-Amino-4-phosphonobutanoic acid
  • L-AP 4
  • (S)-2-Amino-4-phosphonobutyric acid

Work with (2S)-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.

2-Amino-4-phosphonobutanoic acid20263-07-4Stereo not defined

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

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