(2S,4R)-4-hydroxy-5-(3-hydroxy-2-pyridinyl)-4-methyl-2,3-dihydropyrrole-2-carboxamide

C11H13N3O3 — CID 135801683

IUPAC(2S,4R)-4-hydroxy-5-(3-hydroxy-2-pyridinyl)-4-methyl-2,3-dihydropyrrole-2-carboxamide
SMILESC[C@@]1(O)C[C@@H](C(N)=O)N=C1c1ncccc1O
InChIInChI=1S/C11H13N3O3/c1-11(17)5-6(10(12)16)14-9(11)8-7(15)3-2-4-13-8/h2-4,6,15,17H,5H2,1H3,(H2,12,16)/t6-,11+/m0/s1
InChIKeyLKXKFHREZIJJTA-UPONEAKYSA-N
MW235.24 g/mol
LogP-0.42
Rot. Bonds2

About (2S,4R)-4-hydroxy-5-(3-hydroxy-2-pyridinyl)-4-methyl-2,3-dihydropyrrole-2-carboxamide

(2S,4R)-4-hydroxy-5-(3-hydroxy-2-pyridinyl)-4-methyl-2,3-dihydropyrrole-2-carboxamide (PubChem CID 135801683) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-5-(3-hydroxy-2-pyridinyl)-4-methyl-2,3-dihydropyrrole-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-5-(3-hydroxy-2-pyridinyl)-4-methyl-2,3-dihydropyrrole-2-carboxamide
PubChem CID135801683
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name(2S,4R)-4-hydroxy-5-(3-hydroxy-2-pyridinyl)-4-methyl-2,3-dihydropyrrole-2-carboxamide
SMILESC[C@@]1(O)C[C@@H](C(N)=O)N=C1c1ncccc1O
InChIInChI=1S/C11H13N3O3/c1-11(17)5-6(10(12)16)14-9(11)8-7(15)3-2-4-13-8/h2-4,6,15,17H,5H2,1H3,(H2,12,16)/t6-,11+/m0/s1
InChIKeyLKXKFHREZIJJTA-UPONEAKYSA-N
XLogP-0.42
TPSA108.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-5-(3-hydroxy-2-pyridinyl)-4-methyl-2,3-dihydropyrrole-2-carboxamide?
The IUPAC name of (2S,4R)-4-hydroxy-5-(3-hydroxy-2-pyridinyl)-4-methyl-2,3-dihydropyrrole-2-carboxamide (CID 135801683) is (2S,4R)-4-hydroxy-5-(3-hydroxy-2-pyridinyl)-4-methyl-2,3-dihydropyrrole-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-hydroxy-5-(3-hydroxy-2-pyridinyl)-4-methyl-2,3-dihydropyrrole-2-carboxamide?
The canonical SMILES for (2S,4R)-4-hydroxy-5-(3-hydroxy-2-pyridinyl)-4-methyl-2,3-dihydropyrrole-2-carboxamide is C[C@@]1(O)C[C@@H](C(N)=O)N=C1c1ncccc1O.
What is the InChIKey of (2S,4R)-4-hydroxy-5-(3-hydroxy-2-pyridinyl)-4-methyl-2,3-dihydropyrrole-2-carboxamide?
The InChIKey is LKXKFHREZIJJTA-UPONEAKYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-11(17)5-6(10(12)16)14-9(11)8-7(15)3-2-4-13-8/h2-4,6,15,17H,5H2,1H3,(H2,12,16)/t6-,11+/m0/s1.
What are the key properties of (2S,4R)-4-hydroxy-5-(3-hydroxy-2-pyridinyl)-4-methyl-2,3-dihydropyrrole-2-carboxamide?
(2S,4R)-4-hydroxy-5-(3-hydroxy-2-pyridinyl)-4-methyl-2,3-dihydropyrrole-2-carboxamide has a molecular weight of 235.24 g/mol, XLogP of -0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-5-(3-hydroxy-2-pyridinyl)-4-methyl-2,3-dihydropyrrole-2-carboxamide is sourced from PubChem (CID 135801683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).