(2S)-5-amino-3-hydroxy-2-phenyl-2H-pyrrole-4-carboxamide

C11H11N3O2 — CID 136803709

IUPAC(2S)-5-amino-3-hydroxy-2-phenyl-2H-pyrrole-4-carboxamide
SMILESNC(=O)C1=C(O)[C@H](c2ccccc2)N=C1N
InChIInChI=1S/C11H11N3O2/c12-10-7(11(13)16)9(15)8(14-10)6-4-2-1-3-5-6/h1-5,8,15H,(H2,12,14)(H2,13,16)/t8-/m0/s1
InChIKeyDSIWIUNCOQSZRF-QMMMGPOBSA-N
MW217.23 g/mol
LogP0.40
Rot. Bonds2

About (2S)-5-amino-3-hydroxy-2-phenyl-2H-pyrrole-4-carboxamide

(2S)-5-amino-3-hydroxy-2-phenyl-2H-pyrrole-4-carboxamide (PubChem CID 136803709) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is (2S)-5-amino-3-hydroxy-2-phenyl-2H-pyrrole-4-carboxamide.

Molecular Properties

Compound Name(2S)-5-amino-3-hydroxy-2-phenyl-2H-pyrrole-4-carboxamide
PubChem CID136803709
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name(2S)-5-amino-3-hydroxy-2-phenyl-2H-pyrrole-4-carboxamide
SMILESNC(=O)C1=C(O)[C@H](c2ccccc2)N=C1N
InChIInChI=1S/C11H11N3O2/c12-10-7(11(13)16)9(15)8(14-10)6-4-2-1-3-5-6/h1-5,8,15H,(H2,12,14)(H2,13,16)/t8-/m0/s1
InChIKeyDSIWIUNCOQSZRF-QMMMGPOBSA-N
XLogP0.40
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 67588186
CID 67588186
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
2,3-diphenylcyclopropan-1-ol
CID 15400659
[(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone
CID 13111202
3-[(5-carbamoyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]propanoic acid
CID 3514604
4-amino-2-fluoro-3-phenyl-3H-pyrrol-5-ol
CID 163552795

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-3-hydroxy-2-phenyl-2H-pyrrole-4-carboxamide?
The IUPAC name of (2S)-5-amino-3-hydroxy-2-phenyl-2H-pyrrole-4-carboxamide (CID 136803709) is (2S)-5-amino-3-hydroxy-2-phenyl-2H-pyrrole-4-carboxamide.
What is the SMILES notation for (2S)-5-amino-3-hydroxy-2-phenyl-2H-pyrrole-4-carboxamide?
The canonical SMILES for (2S)-5-amino-3-hydroxy-2-phenyl-2H-pyrrole-4-carboxamide is NC(=O)C1=C(O)[C@H](c2ccccc2)N=C1N.
What is the InChIKey of (2S)-5-amino-3-hydroxy-2-phenyl-2H-pyrrole-4-carboxamide?
The InChIKey is DSIWIUNCOQSZRF-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H11N3O2/c12-10-7(11(13)16)9(15)8(14-10)6-4-2-1-3-5-6/h1-5,8,15H,(H2,12,14)(H2,13,16)/t8-/m0/s1.
What are the key properties of (2S)-5-amino-3-hydroxy-2-phenyl-2H-pyrrole-4-carboxamide?
(2S)-5-amino-3-hydroxy-2-phenyl-2H-pyrrole-4-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-3-hydroxy-2-phenyl-2H-pyrrole-4-carboxamide is sourced from PubChem (CID 136803709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).