Chemical Components in the PDB

pdbe.org/chem
spacer

BV7 : Summary

Code

BV7

One-letter code

X

Molecule name

3-(4-piperidyl)propanoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 3-(piperidin-4-yl)propanoic acid
OpenEye OEToolkits 1.7.6 3-piperidin-4-ylpropanoic acid

Formula

C8 H15 N O2

Formal charge

0

Molecular weight

157.21 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)CCC1CCNCC1
SMILES CACTVS 3.385 OC(=O)CCC1CCNCC1
SMILES OpenEye OEToolkits 1.7.6 C1CNCCC1CCC(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)CCC1CCNCC1
Canonical SMILES OpenEye OEToolkits 1.7.6 C1CNCCC1CCC(=O)O

IUPAC InChI

InChI=1S/C8H15NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h7,9H,1-6H2,(H,10,11)

IUPAC InChI key

AUYQMCCWFNSFGV-UHFFFAOYSA-N
BV7

wwPDB Information

Atom count

26 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-06-25

Last modified at

2014-07-10

Status

Released

Obsoleted

Not Assigned