(2S)-2-hydroxy-1-[(3S,4R)-3-hydroxy-4-propan-2-ylpyrrolidin-1-yl]propan-1-one

C10H19NO3 — CID 118334260

IUPAC(2S)-2-hydroxy-1-[(3S,4R)-3-hydroxy-4-propan-2-ylpyrrolidin-1-yl]propan-1-one
SMILESCC(C)[C@@H]1CN(C(=O)[C@H](C)O)C[C@H]1O
InChIInChI=1S/C10H19NO3/c1-6(2)8-4-11(5-9(8)13)10(14)7(3)12/h6-9,12-13H,4-5H2,1-3H3/t7-,8-,9+/m0/s1
InChIKeyLVWVSBCCUBCZJE-XHNCKOQMSA-N
MW201.27 g/mol
LogP-0.16
Rot. Bonds2

About (2S)-2-hydroxy-1-[(3S,4R)-3-hydroxy-4-propan-2-ylpyrrolidin-1-yl]propan-1-one

(2S)-2-hydroxy-1-[(3S,4R)-3-hydroxy-4-propan-2-ylpyrrolidin-1-yl]propan-1-one (PubChem CID 118334260) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (2S)-2-hydroxy-1-[(3S,4R)-3-hydroxy-4-propan-2-ylpyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-hydroxy-1-[(3S,4R)-3-hydroxy-4-propan-2-ylpyrrolidin-1-yl]propan-1-one
PubChem CID118334260
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(2S)-2-hydroxy-1-[(3S,4R)-3-hydroxy-4-propan-2-ylpyrrolidin-1-yl]propan-1-one
SMILESCC(C)[C@@H]1CN(C(=O)[C@H](C)O)C[C@H]1O
InChIInChI=1S/C10H19NO3/c1-6(2)8-4-11(5-9(8)13)10(14)7(3)12/h6-9,12-13H,4-5H2,1-3H3/t7-,8-,9+/m0/s1
InChIKeyLVWVSBCCUBCZJE-XHNCKOQMSA-N
XLogP-0.16
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-1-[(3S,4R)-3-hydroxy-4-propan-2-ylpyrrolidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-hydroxy-1-[(3S,4R)-3-hydroxy-4-propan-2-ylpyrrolidin-1-yl]propan-1-one (CID 118334260) is (2S)-2-hydroxy-1-[(3S,4R)-3-hydroxy-4-propan-2-ylpyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-hydroxy-1-[(3S,4R)-3-hydroxy-4-propan-2-ylpyrrolidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-hydroxy-1-[(3S,4R)-3-hydroxy-4-propan-2-ylpyrrolidin-1-yl]propan-1-one is CC(C)[C@@H]1CN(C(=O)[C@H](C)O)C[C@H]1O.
What is the InChIKey of (2S)-2-hydroxy-1-[(3S,4R)-3-hydroxy-4-propan-2-ylpyrrolidin-1-yl]propan-1-one?
The InChIKey is LVWVSBCCUBCZJE-XHNCKOQMSA-N. The full InChI is InChI=1S/C10H19NO3/c1-6(2)8-4-11(5-9(8)13)10(14)7(3)12/h6-9,12-13H,4-5H2,1-3H3/t7-,8-,9+/m0/s1.
What are the key properties of (2S)-2-hydroxy-1-[(3S,4R)-3-hydroxy-4-propan-2-ylpyrrolidin-1-yl]propan-1-one?
(2S)-2-hydroxy-1-[(3S,4R)-3-hydroxy-4-propan-2-ylpyrrolidin-1-yl]propan-1-one has a molecular weight of 201.27 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-1-[(3S,4R)-3-hydroxy-4-propan-2-ylpyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 118334260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).