(5S)-3,4-dihydroxy-3-methyl-5-propan-2-ylpyrrolidin-2-one

C8H15NO3 — CID 11579204

IUPAC(5S)-3,4-dihydroxy-3-methyl-5-propan-2-ylpyrrolidin-2-one
SMILESCC(C)[C@@H]1NC(=O)C(C)(O)C1O
InChIInChI=1S/C8H15NO3/c1-4(2)5-6(10)8(3,12)7(11)9-5/h4-6,10,12H,1-3H3,(H,9,11)/t5-,6?,8?/m0/s1
InChIKeyZZHORNDWJQZZHD-BHZOKHGKSA-N
MW173.21 g/mol
LogP-0.75
Rot. Bonds1

About (5S)-3,4-dihydroxy-3-methyl-5-propan-2-ylpyrrolidin-2-one

(5S)-3,4-dihydroxy-3-methyl-5-propan-2-ylpyrrolidin-2-one (PubChem CID 11579204) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (5S)-3,4-dihydroxy-3-methyl-5-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-3,4-dihydroxy-3-methyl-5-propan-2-ylpyrrolidin-2-one
PubChem CID11579204
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(5S)-3,4-dihydroxy-3-methyl-5-propan-2-ylpyrrolidin-2-one
SMILESCC(C)[C@@H]1NC(=O)C(C)(O)C1O
InChIInChI=1S/C8H15NO3/c1-4(2)5-6(10)8(3,12)7(11)9-5/h4-6,10,12H,1-3H3,(H,9,11)/t5-,6?,8?/m0/s1
InChIKeyZZHORNDWJQZZHD-BHZOKHGKSA-N
XLogP-0.75
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-3,4-dihydroxy-3-methyl-5-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (5S)-3,4-dihydroxy-3-methyl-5-propan-2-ylpyrrolidin-2-one (CID 11579204) is (5S)-3,4-dihydroxy-3-methyl-5-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (5S)-3,4-dihydroxy-3-methyl-5-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (5S)-3,4-dihydroxy-3-methyl-5-propan-2-ylpyrrolidin-2-one is CC(C)[C@@H]1NC(=O)C(C)(O)C1O.
What is the InChIKey of (5S)-3,4-dihydroxy-3-methyl-5-propan-2-ylpyrrolidin-2-one?
The InChIKey is ZZHORNDWJQZZHD-BHZOKHGKSA-N. The full InChI is InChI=1S/C8H15NO3/c1-4(2)5-6(10)8(3,12)7(11)9-5/h4-6,10,12H,1-3H3,(H,9,11)/t5-,6?,8?/m0/s1.
What are the key properties of (5S)-3,4-dihydroxy-3-methyl-5-propan-2-ylpyrrolidin-2-one?
(5S)-3,4-dihydroxy-3-methyl-5-propan-2-ylpyrrolidin-2-one has a molecular weight of 173.21 g/mol, XLogP of -0.75, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,4-dihydroxy-3-methyl-5-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 11579204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).