Chemical Components in the PDB

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2KY : Summary

Code

2KY

One-letter code

X

Molecule name

(2S)-amino(cyclopentyl)ethanoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (2S)-amino(cyclopentyl)ethanoic acid
OpenEye OEToolkits 1.7.6 (2S)-2-azanyl-2-cyclopentyl-ethanoic acid

Formula

C7 H13 N O2

Formal charge

0

Molecular weight

143.184 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(N)C1CCCC1
SMILES CACTVS 3.385 N[CH](C1CCCC1)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 C1CCC(C1)C(C(=O)O)N
Canonical SMILES CACTVS 3.385 N[C@@H](C1CCCC1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C1CCC(C1)[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C7H13NO2/c8-6(7(9)10)5-3-1-2-4-5/h5-6H,1-4,8H2,(H,9,10)/t6-/m0/s1

IUPAC InChI key

XBPKRVHTESHFAA-LURJTMIESA-N

Is part of

4P2
2KY

wwPDB Information

Atom count

23 (10 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2013-11-22

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned