(2S)-2-(2-hydroxypyrrol-1-yl)butanamide

C8H12N2O2 — CID 91056291

IUPAC(2S)-2-(2-hydroxypyrrol-1-yl)butanamide
SMILESCC[C@@H](C(N)=O)n1cccc1O
InChIInChI=1S/C8H12N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h3-6,11H,2H2,1H3,(H2,9,12)/t6-/m0/s1
InChIKeyVENISHHAZNZWRI-LURJTMIESA-N
MW168.20 g/mol
LogP0.63
Rot. Bonds3

About (2S)-2-(2-hydroxypyrrol-1-yl)butanamide

(2S)-2-(2-hydroxypyrrol-1-yl)butanamide (PubChem CID 91056291) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (2S)-2-(2-hydroxypyrrol-1-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(2-hydroxypyrrol-1-yl)butanamide
PubChem CID91056291
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(2S)-2-(2-hydroxypyrrol-1-yl)butanamide
SMILESCC[C@@H](C(N)=O)n1cccc1O
InChIInChI=1S/C8H12N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h3-6,11H,2H2,1H3,(H2,9,12)/t6-/m0/s1
InChIKeyVENISHHAZNZWRI-LURJTMIESA-N
XLogP0.63
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-acetyl-2-hydroxypyrrole
CID 53746513
1-Ethylpyrrol-2-ol
CID 21702822
2-(2,5-Dihydroxypyrrol-1-yl)acetamide
CID 53860573
2-(2,5-Dihydroxypyrrol-1-yl)hexanamide
CID 53928477
3-(2,5-Dihydroxypyrrol-1-yl)pyrrolidin-2-one
CID 54111603
2-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoazetidin-3-yl)acetamide
CID 54252739
2-(2,5-Dihydroxypyrrol-1-yl)butanediamide
CID 54360136
3-(2,5-Dihydroxypyrrol-1-yl)propanamide
CID 54572257
2-(2,5-Dihydroxypyrrol-1-yl)-2-iodoacetamide
CID 57320492
(2S)-2-(2-hydroxy-4-propylpyrrol-1-yl)butanamide
CID 90802600
4-(2,5-dihydroxypyrrol-1-yl)-N-methylbutanamide
CID 90861012
(2S)-2-(2-hydroxy-4-methylpyrrol-1-yl)butanamide
CID 90907826

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-hydroxypyrrol-1-yl)butanamide?
The IUPAC name of (2S)-2-(2-hydroxypyrrol-1-yl)butanamide (CID 91056291) is (2S)-2-(2-hydroxypyrrol-1-yl)butanamide.
What is the SMILES notation for (2S)-2-(2-hydroxypyrrol-1-yl)butanamide?
The canonical SMILES for (2S)-2-(2-hydroxypyrrol-1-yl)butanamide is CC[C@@H](C(N)=O)n1cccc1O.
What is the InChIKey of (2S)-2-(2-hydroxypyrrol-1-yl)butanamide?
The InChIKey is VENISHHAZNZWRI-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h3-6,11H,2H2,1H3,(H2,9,12)/t6-/m0/s1.
What are the key properties of (2S)-2-(2-hydroxypyrrol-1-yl)butanamide?
(2S)-2-(2-hydroxypyrrol-1-yl)butanamide has a molecular weight of 168.20 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-hydroxypyrrol-1-yl)butanamide is sourced from PubChem (CID 91056291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).