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

C11H18N2O2 — CID 90802600

IUPAC(2S)-2-(2-hydroxy-4-propylpyrrol-1-yl)butanamide
SMILESCCCc1cc(O)n([C@@H](CC)C(N)=O)c1
InChIInChI=1S/C11H18N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h6-7,9,14H,3-5H2,1-2H3,(H2,12,15)/t9-/m0/s1
InChIKeyZJDHEAKZXIXAPS-VIFPVBQESA-N
MW210.28 g/mol
LogP1.58
Rot. Bonds5

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

(2S)-2-(2-hydroxy-4-propylpyrrol-1-yl)butanamide (PubChem CID 90802600) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (2S)-2-(2-hydroxy-4-propylpyrrol-1-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(2-hydroxy-4-propylpyrrol-1-yl)butanamide
PubChem CID90802600
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(2S)-2-(2-hydroxy-4-propylpyrrol-1-yl)butanamide
SMILESCCCc1cc(O)n([C@@H](CC)C(N)=O)c1
InChIInChI=1S/C11H18N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h6-7,9,14H,3-5H2,1-2H3,(H2,12,15)/t9-/m0/s1
InChIKeyZJDHEAKZXIXAPS-VIFPVBQESA-N
XLogP1.58
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-hydroxy-4-propylpyrrol-1-yl)butanamide?
The IUPAC name of (2S)-2-(2-hydroxy-4-propylpyrrol-1-yl)butanamide (CID 90802600) is (2S)-2-(2-hydroxy-4-propylpyrrol-1-yl)butanamide.
What is the SMILES notation for (2S)-2-(2-hydroxy-4-propylpyrrol-1-yl)butanamide?
The canonical SMILES for (2S)-2-(2-hydroxy-4-propylpyrrol-1-yl)butanamide is CCCc1cc(O)n([C@@H](CC)C(N)=O)c1.
What is the InChIKey of (2S)-2-(2-hydroxy-4-propylpyrrol-1-yl)butanamide?
The InChIKey is ZJDHEAKZXIXAPS-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h6-7,9,14H,3-5H2,1-2H3,(H2,12,15)/t9-/m0/s1.
What are the key properties of (2S)-2-(2-hydroxy-4-propylpyrrol-1-yl)butanamide?
(2S)-2-(2-hydroxy-4-propylpyrrol-1-yl)butanamide has a molecular weight of 210.28 g/mol, XLogP of 1.58, 5 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-propylpyrrol-1-yl)butanamide is sourced from PubChem (CID 90802600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).