Chemical Components in the PDB

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P2Y : Summary

Code

P2Y

One-letter code

P

Molecule name

(2S)-PYRROLIDIN-2-YLMETHYLAMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 1-[(2S)-pyrrolidin-2-yl]methanamine
OpenEye OEToolkits 1.5.0 [(2S)-pyrrolidin-2-yl]methanamine

Formula

C5 H12 N2

Formal charge

0

Molecular weight

100.162 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 NCC1NCCC1
SMILES CACTVS 3.341 NC[CH]1CCCN1
SMILES OpenEye OEToolkits 1.5.0 C1CC(NC1)CN
Canonical SMILES CACTVS 3.341 NC[C@@H]1CCCN1
Canonical SMILES OpenEye OEToolkits 1.5.0 C1C[C@H](NC1)CN

IUPAC InChI

InChI=1S/C5H12N2/c6-4-5-2-1-3-7-5/h5,7H,1-4,6H2/t5-/m0/s1

IUPAC InChI key

AUKXFNABVHIUAC-YFKPBYRVSA-N
P2Y

wwPDB Information

Atom count

19 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

PRO

Defined at

2003-03-20

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned