Chemical Components in the PDB

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UQY : Summary

Code

UQY

One-letter code

X

Molecule name

1-(methylamino)cyclopentane-1-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 1-(methylamino)cyclopentane-1-carboxamide
OpenEye OEToolkits 2.0.7 1-(methylamino)cyclopentane-1-carboxamide

Formula

C7 H14 N2 O

Formal charge

0

Molecular weight

142.199 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 NC(=O)C1(CCCC1)NC
SMILES CACTVS 3.385 CNC1(CCCC1)C(N)=O
SMILES OpenEye OEToolkits 2.0.7 CNC1(CCCC1)C(=O)N
Canonical SMILES CACTVS 3.385 CNC1(CCCC1)C(N)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CNC1(CCCC1)C(=O)N

IUPAC InChI

InChI=1S/C7H14N2O/c1-9-7(6(8)10)4-2-3-5-7/h9H,2-5H2,1H3,(H2,8,10)

IUPAC InChI key

OESOTMQEPBMDID-UHFFFAOYSA-N
UQY

wwPDB Information

Atom count

24 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-05-27

Last modified at

2020-06-05

Status

Released

Obsoleted

Not Assigned