2-Acetamidoacrylic acid

C₅H₇NO₃CAS 5429-56-1129.11 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid

Properties

Molecular formula: C₅H₇NO₃
Molar mass: 129.11 g/mol
Exact mass: 129.0426 Da
Melting point: 198–200 °C (decomposes)
logP: 0.56Crippen estimate
Polar surface area: 69.9 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 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

5429-56-1

SMILES

C=C(N=C(C)O)C(=O)O

InChIKey

UFDFFEMHDKXMBG-UHFFFAOYSA-N

InChI

InChI=1S/C5H7NO3/c1-3(5(8)9)6-4(2)7/h1H2,2H3,(H,6,7)(H,8,9)

Weigh it out

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

Names and synonyms

12 names

2-Propenoic acid, 2-(acetylamino)-
Acrylic acid, 2-acetamido-
2-(Acetylamino)-2-propenoic acid
N-Acetyldehydroalanine
Acetyldehydroalanine
α-Acetamidoacrylic acid
2-(Acetylamino)acrylic acid
N-Acetyl-α-aminoacrylic acid
N-Acetyl-α,β-dehydroalanine
α-(Acetylamino)acrylic acid
NSC 14171
2-Acetamidoprop-2-enoic acid

Work with 2-Acetamidoacrylic 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

Methyl 2-acetamidoacrylate35356-70-856 % similar N-Acetylacetamide625-77-446 % similar Methacrylic acid79-41-443 % similar 2-(Acetylamino)-3-phenyl-2-propenoic acid5469-45-441 % similar 2-Bromoacrylic acid10443-65-938 % similar 2-Fluoroacrylic acid430-99-938 % similar Acetylurea591-07-137 % similar Pyruvic acid127-17-336 % similar

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

Same formula

Pyroglutamic acid149-87-1 4-Acetoxy-2-azetidinone28562-53-0 Ethyl isocyanatoacetate2949-22-6 (+)-Pyroglutamic acid4042-36-8 Dimethadione695-53-4 L-Pyroglutamic acid98-79-3

Elsewhere

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