V8N

2-[3-(aminomethyl)phenyl]ethanoic acid

Created:	2021-04-29
Last modified:	2024-09-27

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1 entries where V8N is covalently linked to polymer or other heterogen groups 6 entries where V8N is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	6

2D diagram of V8N

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Chemical Component Summary
Name	2-[3-(aminomethyl)phenyl]ethanoic acid
Systematic Name (OpenEye OEToolkits)	2-[3-(aminomethyl)phenyl]ethanoic acid
Formula	C₉ H₁₁ N O₂
Molecular Weight	165.189
Type	PEPTIDE-LIKE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NCc1cccc(CC(O)=O)c1
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)CN)CC(=O)O
Canonical SMILES	CACTVS	3.385	NCc1cccc(CC(O)=O)c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)CN)CC(=O)O
InChI	InChI	1.03	InChI=1S/C9H11NO2/c10-6-8-3-1-2-7(4-8)5-9(11)12/h1-4H,5-6,10H2,(H,11,12)
InChIKey	InChI	1.03	OMILONVYAUZURK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	22247029
ChEMBL	CHEMBL1188226

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.