(2R)-5-amino-3-hydroxy-2-(2-methylpropyl)-2H-pyrrole-4-carbonitrile

C9H13N3O — CID 136803676

IUPAC(2R)-5-amino-3-hydroxy-2-(2-methylpropyl)-2H-pyrrole-4-carbonitrile
SMILESCC(C)C[C@H]1N=C(N)C(C#N)=C1O
InChIInChI=1S/C9H13N3O/c1-5(2)3-7-8(13)6(4-10)9(11)12-7/h5,7,13H,3H2,1-2H3,(H2,11,12)/t7-/m1/s1
InChIKeyRZRIDKKPSVHIOR-SSDOTTSWSA-N
MW179.22 g/mol
LogP1.11
Rot. Bonds2

About (2R)-5-amino-3-hydroxy-2-(2-methylpropyl)-2H-pyrrole-4-carbonitrile

(2R)-5-amino-3-hydroxy-2-(2-methylpropyl)-2H-pyrrole-4-carbonitrile (PubChem CID 136803676) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is (2R)-5-amino-3-hydroxy-2-(2-methylpropyl)-2H-pyrrole-4-carbonitrile.

Molecular Properties

Compound Name(2R)-5-amino-3-hydroxy-2-(2-methylpropyl)-2H-pyrrole-4-carbonitrile
PubChem CID136803676
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name(2R)-5-amino-3-hydroxy-2-(2-methylpropyl)-2H-pyrrole-4-carbonitrile
SMILESCC(C)C[C@H]1N=C(N)C(C#N)=C1O
InChIInChI=1S/C9H13N3O/c1-5(2)3-7-8(13)6(4-10)9(11)12-7/h5,7,13H,3H2,1-2H3,(H2,11,12)/t7-/m1/s1
InChIKeyRZRIDKKPSVHIOR-SSDOTTSWSA-N
XLogP1.11
TPSA82.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-3-hydroxy-2-(2-methylpropyl)-2H-pyrrole-4-carbonitrile?
The IUPAC name of (2R)-5-amino-3-hydroxy-2-(2-methylpropyl)-2H-pyrrole-4-carbonitrile (CID 136803676) is (2R)-5-amino-3-hydroxy-2-(2-methylpropyl)-2H-pyrrole-4-carbonitrile.
What is the SMILES notation for (2R)-5-amino-3-hydroxy-2-(2-methylpropyl)-2H-pyrrole-4-carbonitrile?
The canonical SMILES for (2R)-5-amino-3-hydroxy-2-(2-methylpropyl)-2H-pyrrole-4-carbonitrile is CC(C)C[C@H]1N=C(N)C(C#N)=C1O.
What is the InChIKey of (2R)-5-amino-3-hydroxy-2-(2-methylpropyl)-2H-pyrrole-4-carbonitrile?
The InChIKey is RZRIDKKPSVHIOR-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13N3O/c1-5(2)3-7-8(13)6(4-10)9(11)12-7/h5,7,13H,3H2,1-2H3,(H2,11,12)/t7-/m1/s1.
What are the key properties of (2R)-5-amino-3-hydroxy-2-(2-methylpropyl)-2H-pyrrole-4-carbonitrile?
(2R)-5-amino-3-hydroxy-2-(2-methylpropyl)-2H-pyrrole-4-carbonitrile has a molecular weight of 179.22 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-3-hydroxy-2-(2-methylpropyl)-2H-pyrrole-4-carbonitrile is sourced from PubChem (CID 136803676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).