Chemical Components in the PDB

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K7M : Summary

Code

K7M

One-letter code

X

Molecule name

(2R)-N-hydroxy-1-phenylpropan-2-amine

Synonyms

N-(1-phenylpropan-2-yl)hydroxylamine

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R)-N-hydroxy-1-phenylpropan-2-amine
OpenEye OEToolkits 2.0.6 ~{N}-[(2~{R})-1-phenylpropan-2-yl]hydroxylamine

Formula

C9 H13 N O

Formal charge

0

Molecular weight

151.206 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1ccccc1CC(C)NO
SMILES CACTVS 3.385 C[CH](Cc1ccccc1)NO
SMILES OpenEye OEToolkits 2.0.6 CC(Cc1ccccc1)NO
Canonical SMILES CACTVS 3.385 C[C@H](Cc1ccccc1)NO
Canonical SMILES OpenEye OEToolkits 2.0.6 C[C@H](Cc1ccccc1)NO

IUPAC InChI

InChI=1S/C9H13NO/c1-8(10-11)7-9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3/t8-/m1/s1

IUPAC InChI key

LPZRPPBVFGJUOJ-MRVPVSSYSA-N
K7M

wwPDB Information

Atom count

24 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-11-06

Last modified at

2020-11-06

Status

Released

Obsoleted

Not Assigned