2-Amino-cyclopent-1-enecarboxylic acid ethyl ester

C₈H₁₃NO₂CAS 7149-18-0155.20 g/mol

Open in Covalent MOL file

Alkene Ester Primary amine

Properties

Molecular formula: C₈H₁₃NO₂
Molar mass: 155.20 g/mol
Exact mass: 155.0946 Da
logP: 0.95Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

7149-18-0

SMILES

CCOC(=O)C1=C(CCC1)N

InChIKey

FMEHILPGLKGSCA-UHFFFAOYSA-N

InChI

InChI=1S/C8H13NO2/c1-2-11-8(10)6-4-3-5-7(6)9/h2-5,9H2,1H3

Weigh it out

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

Names and synonyms

1 names

Ethyl 2-amino-1-cyclopentene-1-carboxylate

Work with 2-Amino-cyclopent-1-enecarboxylic acid ethyl ester

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

Diethyl oxalate95-92-152 % similar Ethyl oxamate617-36-752 % similar Ethyl thiooxamate16982-21-148 % similar 1,1,2,2-Tetraethyl 1,1,2,2-ethenetetracarboxylate6174-95-448 % similar Ethyl 2-hydrazinyl-2-oxoacetate35196-48-647 % similar Diethyl oxomalonate609-09-647 % similar Ethyl 2-oximinooxamate10489-74-444 % similar Hantzsch ester1149-23-144 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Acetylcaprolactam1888-91-1 2-Aminobicyclo(2,2,1)heptane-2-carboxylic acid20448-79-7 4-Acetamidocyclohexanone27514-08-5 Scopine498-45-3 (±)-6β-Hydroxytropinone5932-53-6 Arecoline63-75-2 Bemegride64-65-3 tert-Butyl N-(prop-2-yn-1-yl)carbamate92136-39-5

Elsewhere

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