N-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide

C11H18N2O2 — CID 129393614

IUPACN-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide
SMILESC[C@H](O)C(C)(C)NC(=O)c1cccn1C
InChIInChI=1S/C11H18N2O2/c1-8(14)11(2,3)12-10(15)9-6-5-7-13(9)4/h5-8,14H,1-4H3,(H,12,15)/t8-/m0/s1
InChIKeyYQUMJUKGXWSNTB-QMMMGPOBSA-N
MW210.28 g/mol
LogP0.91
Rot. Bonds3

About N-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide

N-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide (PubChem CID 129393614) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide
PubChem CID129393614
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide
SMILESC[C@H](O)C(C)(C)NC(=O)c1cccn1C
InChIInChI=1S/C11H18N2O2/c1-8(14)11(2,3)12-10(15)9-6-5-7-13(9)4/h5-8,14H,1-4H3,(H,12,15)/t8-/m0/s1
InChIKeyYQUMJUKGXWSNTB-QMMMGPOBSA-N
XLogP0.91
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide
CID 129393615
N-(1-amino-2,3-dimethylbutan-2-yl)-1-methylpyrrole-2-carboxamide
CID 81482518
1-methyl-N-(3-methylpentan-3-yl)pyrrole-2-carboxamide
CID 143504652
N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide
CID 12948787
1-methyl-N-(2-methyl-1-phenylpropan-2-yl)pyrrole-2-carboxamide
CID 68779216
(2S)-2-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 28741274
3-hydroxy-2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid
CID 43208802
N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide
CID 66178490
N-(3-hydroxy-2-methylbutan-2-yl)-4-pyrrol-1-ylbenzamide
CID 115884453
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1-methylpyrrole-2-carboxamide
CID 103940864
(2S)-2-hydroxy-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 107833498
2,2-dimethyl-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 81369355

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide (CID 129393614) is N-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide is C[C@H](O)C(C)(C)NC(=O)c1cccn1C.
What is the InChIKey of N-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide?
The InChIKey is YQUMJUKGXWSNTB-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(14)11(2,3)12-10(15)9-6-5-7-13(9)4/h5-8,14H,1-4H3,(H,12,15)/t8-/m0/s1.
What are the key properties of N-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide?
N-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 129393614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).