Dencichine

C₅H₈N₂O₅CAS 5302-45-4176.13 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Primary amine

Properties

Molecular formula: C₅H₈N₂O₅
Molar mass: 176.13 g/mol
Exact mass: 176.0433 Da
logP: -2.40Crippen estimate
Polar surface area: 129.7 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

5302-45-4

SMILES

N[C@@H](CNC(=O)C(=O)O)C(=O)O

InChIKey

NEEQFPMRODQIKX-REOHCLBHSA-N

InChI

InChI=1S/C5H8N2O5/c6-2(4(9)10)1-7-3(8)5(11)12/h2H,1,6H2,(H,7,8)(H,9,10)(H,11,12)/t2-/m0/s1

Weigh it out

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

Names and synonyms

17 names · show all

L-Alanine, 3-[(carboxycarbonyl)amino]-
Oxamic acid, (2-amino-2-carboxyethyl)-, L-
3-[(Carboxycarbonyl)amino]-L-alanine
β-N-Oxalyl-L-α,β-diaminopropionate
β-N-Oxalyl-L-α,β-diaminopropionic acid
BOAA
Nβ-Oxalylamino-L-alanine
Neurotoxin (Lathyrus sativus)
L-3-Oxalylamino-2-aminopropionic acid
Dencichin
L-Dencichin
3-N-Oxalyl-L-2,3-diaminopropanoic acid
ODAP
β-N-Oxalo-L-α,β-diaminopropionic acid
3-N-Oxalyl-L-2,3-diaminopropionic acid
(S)-2-Amino-3-(carboxyformamido)propanoic acid
(2S)-2-Amino-3-(carboxyformamido)propanoic acid

Work with Dencichine

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

Albizziin1483-07-459 % similar Beta-methylamino-L-alanine15920-93-153 % similar Selenocystine29621-88-348 % similar D-Serine312-84-545 % similar 2,3-Diaminopropionic acid4033-39-045 % similar 2,3-Diaminopropionic acid515-94-645 % similar Serine56-45-145 % similar Diaminopimelic acid583-93-745 % similar

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

Same formula

Carbamoyl aspartic acid923-37-5

Elsewhere

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