Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

V0X : Summary

Code

V0X

One-letter code

X

Molecule name

(3R)-2,3-dihydro-1-benzofuran-3-amine

Systematic names

ProgramVersionName
ACDLabs 12.01 (3R)-2,3-dihydro-1-benzofuran-3-amine
OpenEye OEToolkits 2.0.7 (3~{R})-2,3-dihydro-1-benzofuran-3-amine

Formula

C8 H9 N O

Formal charge

0

Molecular weight

135.163 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 NC1COc2ccccc21
SMILES CACTVS 3.385 N[CH]1COc2ccccc12
SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)C(CO2)N
Canonical SMILES CACTVS 3.385 N[C@H]1COc2ccccc12
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)[C@H](CO2)N

IUPAC InChI

InChI=1S/C8H9NO/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4,7H,5,9H2/t7-/m0/s1

IUPAC InChI key

PLCGAGSBVAGXMP-ZETCQYMHSA-N
V0X

wwPDB Information

Atom count

19 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-08-29

Last modified at

2022-10-28

Status

Released

Obsoleted

Not Assigned