Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

GJZ : Summary

Code

GJZ

One-letter code

X

Molecule name

(1R,2S)-2-phenylcyclopropanamine

Systematic names

ProgramVersionName
ACDLabs 12.01 (1R,2S)-2-phenylcyclopropanamine
OpenEye OEToolkits 1.7.0 (1R,2S)-2-phenylcyclopropan-1-amine

Formula

C9 H11 N

Formal charge

0

Molecular weight

133.19 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1cccc(c1)C2CC2N
SMILES CACTVS 3.370 N[CH]1C[CH]1c2ccccc2
SMILES OpenEye OEToolkits 1.7.0 c1ccc(cc1)C2CC2N
Canonical SMILES CACTVS 3.370 N[C@@H]1C[C@H]1c2ccccc2
Canonical SMILES OpenEye OEToolkits 1.7.0 c1ccc(cc1)[C@@H]2C[C@H]2N

IUPAC InChI

InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1

IUPAC InChI key

AELCINSCMGFISI-DTWKUNHWSA-N
GJZ

wwPDB Information

Atom count

21 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-04-01

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned