(3S,6R)-3-[(2S)-butan-2-yl]-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione

C11H20N2O4 — CID 162923938

IUPAC(3S,6R)-3-[(2S)-butan-2-yl]-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione
SMILESCC[C@H](C)[C@H]1C(=O)N(O)[C@H](C(C)C)C(=O)N1O
InChIInChI=1S/C11H20N2O4/c1-5-7(4)9-11(15)12(16)8(6(2)3)10(14)13(9)17/h6-9,16-17H,5H2,1-4H3/t7-,8+,9-/m0/s1
InChIKeyHDDPDGAEWFESMF-YIZRAAEISA-N
MW244.29 g/mol
LogP0.87
Rot. Bonds3

About (3S,6R)-3-[(2S)-butan-2-yl]-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione

(3S,6R)-3-[(2S)-butan-2-yl]-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 162923938) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (3S,6R)-3-[(2S)-butan-2-yl]-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3S,6R)-3-[(2S)-butan-2-yl]-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione
PubChem CID162923938
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(3S,6R)-3-[(2S)-butan-2-yl]-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione
SMILESCC[C@H](C)[C@H]1C(=O)N(O)[C@H](C(C)C)C(=O)N1O
InChIInChI=1S/C11H20N2O4/c1-5-7(4)9-11(15)12(16)8(6(2)3)10(14)13(9)17/h6-9,16-17H,5H2,1-4H3/t7-,8+,9-/m0/s1
InChIKeyHDDPDGAEWFESMF-YIZRAAEISA-N
XLogP0.87
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,6R)-3-[(2S)-butan-2-yl]-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of (3S,6R)-3-[(2S)-butan-2-yl]-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione (CID 162923938) is (3S,6R)-3-[(2S)-butan-2-yl]-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for (3S,6R)-3-[(2S)-butan-2-yl]-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for (3S,6R)-3-[(2S)-butan-2-yl]-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione is CC[C@H](C)[C@H]1C(=O)N(O)[C@H](C(C)C)C(=O)N1O.
What is the InChIKey of (3S,6R)-3-[(2S)-butan-2-yl]-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is HDDPDGAEWFESMF-YIZRAAEISA-N. The full InChI is InChI=1S/C11H20N2O4/c1-5-7(4)9-11(15)12(16)8(6(2)3)10(14)13(9)17/h6-9,16-17H,5H2,1-4H3/t7-,8+,9-/m0/s1.
What are the key properties of (3S,6R)-3-[(2S)-butan-2-yl]-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione?
(3S,6R)-3-[(2S)-butan-2-yl]-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 244.29 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-3-[(2S)-butan-2-yl]-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 162923938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).