C1=CSC(=C1)CC(C(=O)O)N
CAS: 2021-58-1
Name: 2-amino-3-thiophen-2-ylpropanoic acid
SMILES: C1=CSC(=C1)CC(C(=O)O)N

Molecular Processing

Molecular formula
C7H9NO2S
Molecular weight
171.22
Exact mass
171.0354
XLogP
0.7
TPSA
63.32
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
43.63

Supplementary Information

InChIKey: WTOFYLAWDLQMBZ-UHFFFAOYSA-N
Synonyme
2021-58-12-Thiophenealanine2-ThienylalanineNSC 7546ZK0RDK1XBbeta-2-Thienyl-DL-alanineX 151EINECS 205-378-2alpha-Amino-2-thiophenepropanoic acidNSC-754EINECS 217-967-12-Thiophenepropionic acid, alpha-amino-DTXSID10862813DL-3-(2-THIENYL)ALANINE.BETA.-2-THIENYL-DL-ALANINEbeta2dlThienylalanine3(2Thienyl)DLalanineRefChem:483738DTXCID20218509alpha-aminothiophene propanoic acid2Thiophenepropanoic acid, alphaamino, (+/)217-967-13-(2-Thienyl)-dl-alanine2-Amino-3-(thiophen-2-yl)propanoic acidThienylalanine2-Thiophenepropanoic acid, alpha-amino-2-amino-3-thiophen-2-ylpropanoic acidMFCD00005459139-86-6H-Beta-(2-Thienyl)-Dl-Ala-Oh
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