(2S)-2-(2-hydroxy-4-methylpyrrol-1-yl)butanamide

C9H14N2O2 — CID 90907826

IUPAC(2S)-2-(2-hydroxy-4-methylpyrrol-1-yl)butanamide
SMILESCC[C@@H](C(N)=O)n1cc(C)cc1O
InChIInChI=1S/C9H14N2O2/c1-3-7(9(10)13)11-5-6(2)4-8(11)12/h4-5,7,12H,3H2,1-2H3,(H2,10,13)/t7-/m0/s1
InChIKeyOTRUWNFKCLJQQD-ZETCQYMHSA-N
MW182.22 g/mol
LogP0.94
Rot. Bonds3

About (2S)-2-(2-hydroxy-4-methylpyrrol-1-yl)butanamide

(2S)-2-(2-hydroxy-4-methylpyrrol-1-yl)butanamide (PubChem CID 90907826) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (2S)-2-(2-hydroxy-4-methylpyrrol-1-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(2-hydroxy-4-methylpyrrol-1-yl)butanamide
PubChem CID90907826
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(2S)-2-(2-hydroxy-4-methylpyrrol-1-yl)butanamide
SMILESCC[C@@H](C(N)=O)n1cc(C)cc1O
InChIInChI=1S/C9H14N2O2/c1-3-7(9(10)13)11-5-6(2)4-8(11)12/h4-5,7,12H,3H2,1-2H3,(H2,10,13)/t7-/m0/s1
InChIKeyOTRUWNFKCLJQQD-ZETCQYMHSA-N
XLogP0.94
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dimethylpyrrol-2-ol
CID 21702812
3-Methyl-1-[2-(methylamino)ethyl]pyrrole-2,5-diol
CID 53700085
2-(2,5-Dihydroxypyrrol-1-yl)acetamide
CID 53860573
2-(2,5-Dihydroxypyrrol-1-yl)hexanamide
CID 53928477
2-(2,5-Dihydroxypyrrol-1-yl)butanediamide
CID 54360136
(2S)-2-(2-hydroxy-4-propylpyrrol-1-yl)butanamide
CID 90802600
3-[[3-(2,5-Dihydroxy-3-methylpyrrol-1-yl)-4-(methylamino)-4-oxobutanoyl]amino]propyl-trimethylazanium
CID 90858628
(2S)-2-(2-hydroxypyrrol-1-yl)butanamide
CID 91056291
4-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylbutanamide
CID 91091349
6-[3-(2,5-Dihydroxy-3-methylpyrrol-1-yl)propanoylamino]-2-(methylamino)hexanamide
CID 91353482
3-(2,5-Dihydroxy-3-methylpyrrol-1-yl)propanamide
CID 91477665
2-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylacetamide
CID 123298330

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-hydroxy-4-methylpyrrol-1-yl)butanamide?
The IUPAC name of (2S)-2-(2-hydroxy-4-methylpyrrol-1-yl)butanamide (CID 90907826) is (2S)-2-(2-hydroxy-4-methylpyrrol-1-yl)butanamide.
What is the SMILES notation for (2S)-2-(2-hydroxy-4-methylpyrrol-1-yl)butanamide?
The canonical SMILES for (2S)-2-(2-hydroxy-4-methylpyrrol-1-yl)butanamide is CC[C@@H](C(N)=O)n1cc(C)cc1O.
What is the InChIKey of (2S)-2-(2-hydroxy-4-methylpyrrol-1-yl)butanamide?
The InChIKey is OTRUWNFKCLJQQD-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-7(9(10)13)11-5-6(2)4-8(11)12/h4-5,7,12H,3H2,1-2H3,(H2,10,13)/t7-/m0/s1.
What are the key properties of (2S)-2-(2-hydroxy-4-methylpyrrol-1-yl)butanamide?
(2S)-2-(2-hydroxy-4-methylpyrrol-1-yl)butanamide has a molecular weight of 182.22 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-hydroxy-4-methylpyrrol-1-yl)butanamide is sourced from PubChem (CID 90907826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).