α-Amino-2-thiopheneacetic acid

C₆H₇NO₂SCAS 21124-40-3157.19 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₆H₇NO₂S
Molar mass: 157.19 g/mol
Exact mass: 157.0197 Da
Melting point: 233–236 °C
logP: 0.83Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Warning

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

Aggregated from 2 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

21124-40-3

SMILES

NC(C(=O)O)c1cccs1

InChIKey

XLMSKXASROPJNG-UHFFFAOYSA-N

InChI

InChI=1S/C6H7NO2S/c7-5(6(8)9)4-2-1-3-10-4/h1-3,5H,7H2,(H,8,9)

Weigh it out

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

Names and synonyms

11 names

2-Thiopheneacetic acid, alpha-amino-, (-)-
2-Thiopheneacetic acid, α-amino-
2-Thiopheneacetic acid, α-amino-, DL-
2-Thiopheneacetic acid, α-amino-, (±)-
DL-2-Amino-2-thien-2-ylacetic acid
DL-2-Thienylglycine
α-Amino-2-thienylacetic acid
2-Amino-2-(2-Thienyl)acetic acid
DL-α-Amino-2-thiopheneacetic acid
DL-α-Amino-2-thienylacetic acid
2-Amino-2-(thiophen-2-yl)acetic acid

Work with α-Amino-2-thiopheneacetic 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(S)-2-Thienylglycine43189-45-3Defined stereoisomer

Similar compounds

Phenylglycine2835-06-553 % similar L-Phenylglycine2935-35-553 % similar DL-Phenylglycine69-91-053 % similar (-)-Phenylglycine875-74-153 % similar 2-Thienylalanine2021-58-151 % similar L-2-Thienylalanine22951-96-851 % similar Beta-2-Thienyl-D-alanine62561-76-651 % similar 2-(2-Thienyl)-4-thiazolidinecarboxylic acid32451-19-749 % similar

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

Same formula

(αR)-α-Amino-3-thiopheneacetic acid1194-86-1 3-(2-Thiazolyl)propionic acid144163-65-5 Ethyl 1,3-thiazole-4-carboxylate14527-43-6 Methyl 3-aminothiophene-2-carboxylate22288-78-4 Ethyl thiazole-5-carboxylate32955-22-9 Methyl 2-amino-3-thiophenecarboxylate4651-81-4 Dimethyl-1,3-thiazole-5-carboxylic acid53137-27-2

Elsewhere

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