(2R)-4-acetyl-2-[(2R)-butan-2-yl]-3-hydroxy-1,2-dihydropyrrol-5-one

C10H15NO3 — CID 54687017

IUPAC(2R)-4-acetyl-2-[(2R)-butan-2-yl]-3-hydroxy-1,2-dihydropyrrol-5-one
SMILESCC[C@@H](C)[C@H]1NC(=O)C(C(C)=O)=C1O
InChIInChI=1S/C10H15NO3/c1-4-5(2)8-9(13)7(6(3)12)10(14)11-8/h5,8,13H,4H2,1-3H3,(H,11,14)/t5-,8-/m1/s1
InChIKeyCEIZFXOZIQNICU-SVGQVSJJSA-N
MW197.23 g/mol
LogP0.93
Rot. Bonds3

About (2R)-4-acetyl-2-[(2R)-butan-2-yl]-3-hydroxy-1,2-dihydropyrrol-5-one

(2R)-4-acetyl-2-[(2R)-butan-2-yl]-3-hydroxy-1,2-dihydropyrrol-5-one (PubChem CID 54687017) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (2R)-4-acetyl-2-[(2R)-butan-2-yl]-3-hydroxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name(2R)-4-acetyl-2-[(2R)-butan-2-yl]-3-hydroxy-1,2-dihydropyrrol-5-one
PubChem CID54687017
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(2R)-4-acetyl-2-[(2R)-butan-2-yl]-3-hydroxy-1,2-dihydropyrrol-5-one
SMILESCC[C@@H](C)[C@H]1NC(=O)C(C(C)=O)=C1O
InChIInChI=1S/C10H15NO3/c1-4-5(2)8-9(13)7(6(3)12)10(14)11-8/h5,8,13H,4H2,1-3H3,(H,11,14)/t5-,8-/m1/s1
InChIKeyCEIZFXOZIQNICU-SVGQVSJJSA-N
XLogP0.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

L-Tenuazonic acid
CID 54678599
Tenuazonic Acid
CID 54683011
(R)-3-Acetyl-5-((S)-sec-butyl)-4-hydroxy-1,5-dihydro-2H-pyrrol-2-one
CID 54723289
Sodium tenuazonate
CID 23674500
3-acetyl-4-hydroxy-5-isobutyl-1,5-dihydro-2H-pyrrol-2-one
CID 54693243
(2S)-4-acetyl-1-butyl-3-hydroxy-2-(2-methylpropyl)-2H-pyrrol-5-one
CID 54693635
Mutanocyclin
CID 54683942
(2S)-4-acetyl-2-[(2R)-butan-2-yl]-3-hydroxy-1,2-dihydropyrrol-5-one
CID 54711000
4-Acetyl-2-hexyl-3-hydroxy-1,2-dihydropyrrol-5-one
CID 76316400
4-Acetyl-2-butyl-3-hydroxy-1,2-dihydropyrrol-5-one
CID 76334561
Tenuazonic acid-(acetyl-13C2)
CID 117065360
3-Acetyl-5-isopropyltetramic acid
CID 54695526

Frequently Asked Questions

What is the IUPAC name of (2R)-4-acetyl-2-[(2R)-butan-2-yl]-3-hydroxy-1,2-dihydropyrrol-5-one?
The IUPAC name of (2R)-4-acetyl-2-[(2R)-butan-2-yl]-3-hydroxy-1,2-dihydropyrrol-5-one (CID 54687017) is (2R)-4-acetyl-2-[(2R)-butan-2-yl]-3-hydroxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for (2R)-4-acetyl-2-[(2R)-butan-2-yl]-3-hydroxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for (2R)-4-acetyl-2-[(2R)-butan-2-yl]-3-hydroxy-1,2-dihydropyrrol-5-one is CC[C@@H](C)[C@H]1NC(=O)C(C(C)=O)=C1O.
What is the InChIKey of (2R)-4-acetyl-2-[(2R)-butan-2-yl]-3-hydroxy-1,2-dihydropyrrol-5-one?
The InChIKey is CEIZFXOZIQNICU-SVGQVSJJSA-N. The full InChI is InChI=1S/C10H15NO3/c1-4-5(2)8-9(13)7(6(3)12)10(14)11-8/h5,8,13H,4H2,1-3H3,(H,11,14)/t5-,8-/m1/s1.
What are the key properties of (2R)-4-acetyl-2-[(2R)-butan-2-yl]-3-hydroxy-1,2-dihydropyrrol-5-one?
(2R)-4-acetyl-2-[(2R)-butan-2-yl]-3-hydroxy-1,2-dihydropyrrol-5-one has a molecular weight of 197.23 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-acetyl-2-[(2R)-butan-2-yl]-3-hydroxy-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 54687017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).