2-Amino-3-phosphonopropionic acid

C₃H₈NO₅PCAS 20263-06-3169.07 g/mol

Open in Covalent MOL file

Carboxylic acid Phosphonate Primary amine

Properties

Molecular formula: C₃H₈NO₅P
Molar mass: 169.07 g/mol
Exact mass: 169.0140 Da
logP: -1.42Crippen estimate
Polar surface area: 120.8 Å²
H-bond donors / acceptors: 4 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 38 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

20263-06-3

SMILES

NC(CP(=O)(O)O)C(=O)O

InChIKey

LBTABPSJONFLPO-UHFFFAOYSA-N

InChI

InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)

Weigh it out

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

Names and synonyms

12 names

Alanine, 3-phosphono-
3-Phosphonoalanine
α-Amino-β-phosphonopropionic acid
Phosphonic acid, (2-amino-2-carboxyethyl)-
DL-2-Amino-2-carboxyethylphosphonic acid
DL-2-Amino-3-phosphonopropionic acid
DL-2-Amino-3-phosphonopropionate
(±)-2-Amino-3-phosphonopropionic acid
3-Phosphono-DL-alanine
(±)-2-Amino-3-phosphonopropanoic acid
NSC 30078
2-Amino-3-phosphonopropanoic acid

Work with 2-Amino-3-phosphonopropionic 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

Similar compounds

2-Amino-4-phosphonobutanoic acid20263-07-470 % similar (2S)-2-Amino-4-phosphonobutanoic acid23052-81-570 % similar Ap576326-31-366 % similar O-Phospho-DL-serine17885-08-451 % similar Phosphoserine407-41-051 % similar DL-Serine302-84-150 % similar D-Serine312-84-550 % similar L-Alpha,beta-Diaminopropionic acid4033-39-050 % similar

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

Same formula

Glyphosate1071-83-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook