(1R,4S)-4-Aminocyclopent-2-ene-1-carboxylic acid

C₆H₉NO₂CAS 134003-04-6127.14 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid Primary amine

Properties

Molecular formula: C₆H₉NO₂
Molar mass: 127.14 g/mol
Exact mass: 127.0633 Da
logP: -0.03Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1
Stereocentres: S, Rin SMILES atom order

Hazards

Warning

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

Aggregated from 4 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

134003-04-6

SMILES

N[C@@H]1C=C[C@H](C(=O)O)C1

InChIKey

VTCHZFWYUPZZKL-CRCLSJGQSA-N

InChI

InChI=1S/C6H9NO2/c7-5-2-1-4(3-5)6(8)9/h1-2,4-5H,3,7H2,(H,8,9)/t4-,5+/m0/s1

Weigh it out

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

Names and synonyms

4 names

2-Cyclopentene-1-carboxylic acid, 4-amino-, (1R,4S)-
2-Cyclopentene-1-carboxylic acid, 4-amino-, (1R-cis)-
(1R,4S)-4-Amino-2-cyclopentene-1-carboxylic acid
(1R,4S)-4-Aminocyclopent-2-enecarboxylic acid

Work with (1R,4S)-4-Aminocyclopent-2-ene-1-carboxylic 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-Cyclopentene-1-methanol, 4-amino-, (1S,4R)-, (2S,3S)-2,3-dihydroxybutanedioate (1:1) (salt)229177-52-051 % similar 5-Norbornene-2-endo,3-exo-dicarboxylic acid1200-88-042 % similar 5-Norbornene-2,3-dicarboxylic acid3813-52-342 % similar 3-Aminocyclobutane-1-carboxylic acid74316-27-142 % similar (1S,4R)-(-)-4-(Boc-amino)-2-cyclopentene-1-carboxylic acid151907-79-840 % similar (+)-(1R,4S)-N-Boc-4-aminocyclopent-2-enecarboxylic acid151907-80-140 % similar (1R,4R)-4-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-cyclopentene-1-carboxylic acid298716-03-740 % similar L-Cyclopropylalanine102735-53-539 % similar

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

Same formula

1-Methylethyl 2-cyanoacetate13361-30-3 Propyl cyanoacetate14447-15-5 Ethyl 2-cyanopropanoate1572-99-2 3,5-Dimethyl-4-isoxazolemethanol19788-36-4 (1S,2S,5R)-3-Azabicyclo[3.1.0]hexane-2-carboxylic acid22255-16-9 α-(Aminomethyl)-2-furanmethanol2745-22-4 5-Ethoxy-4-methyloxazole5006-20-2 1-Acetyl-2-pyrrolidone932-17-2

Elsewhere

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