Chemical Components in the PDB

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8R1 : Summary

Code

8R1

One-letter code

X

Molecule name

(R)-2-Aminobutanamide

Synonyms

(2R)-2-azanylbutanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{R})-2-azanylbutanamide

Formula

C4 H10 N2 O

Formal charge

0

Molecular weight

102.135 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC[CH](N)C(N)=O
SMILES OpenEye OEToolkits 2.0.7 CCC(C(=O)N)N
Canonical SMILES CACTVS 3.385 CC[C@@H](N)C(N)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CC[C@H](C(=O)N)N

IUPAC InChI

InChI=1S/C4H10N2O/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H2,6,7)/t3-/m1/s1

IUPAC InChI key

HNNJFUDLLWOVKZ-GSVOUGTGSA-N
8R1

wwPDB Information

Atom count

17 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-10-28

Last modified at

2022-11-04

Status

Released

Obsoleted

Not Assigned