Chemical Components in the PDB

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C9K : Summary

Code

C9K

One-letter code

X

Molecule name

2-[[(2~{S})-2-azanylpropyl]amino]ethanol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 2-[[(2~{S})-2-azanylpropyl]amino]ethanol

Formula

C5 H14 N2 O

Formal charge

0

Molecular weight

118.177 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 C[CH](N)CNCCO
SMILES OpenEye OEToolkits 2.0.6 CC(CNCCO)N
Canonical SMILES CACTVS 3.385 C[C@H](N)CNCCO
Canonical SMILES OpenEye OEToolkits 2.0.6 C[C@@H](CNCCO)N

IUPAC InChI

InChI=1S/C5H14N2O/c1-5(6)4-7-2-3-8/h5,7-8H,2-4,6H2,1H3/t5-/m0/s1

IUPAC InChI key

XALTWITXELVMHP-YFKPBYRVSA-N
C9K

wwPDB Information

Atom count

22 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-11-23

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned