Chemical Components in the PDB

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2A3 : Summary

Code

2A3

One-letter code

X

Molecule name

(2R)-2-aminopropan-1-ol

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R)-2-aminopropan-1-ol
OpenEye OEToolkits 1.7.0 (2R)-2-azanylpropan-1-ol

Formula

C3 H9 N O

Formal charge

0

Molecular weight

75.11 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OCC(N)C
SMILES CACTVS 3.370 C[CH](N)CO
SMILES OpenEye OEToolkits 1.7.0 CC(CO)N
Canonical SMILES CACTVS 3.370 C[C@@H](N)CO
Canonical SMILES OpenEye OEToolkits 1.7.0 C[C@H](CO)N

IUPAC InChI

InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/t3-/m1/s1

IUPAC InChI key

BKMMTJMQCTUHRP-GSVOUGTGSA-N
2A3

wwPDB Information

Atom count

14 (5 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-10-11

Last modified at

2011-07-29

Status

Released

Obsoleted

Not Assigned