(3S,6S)-1,4-dihydroxy-3,6-di(propan-2-yl)piperazine-2,5-dione

C10H18N2O4 — CID 101282626

IUPAC(3S,6S)-1,4-dihydroxy-3,6-di(propan-2-yl)piperazine-2,5-dione
SMILESCC(C)[C@H]1C(=O)N(O)[C@@H](C(C)C)C(=O)N1O
InChIInChI=1S/C10H18N2O4/c1-5(2)7-9(13)12(16)8(6(3)4)10(14)11(7)15/h5-8,15-16H,1-4H3/t7-,8-/m0/s1
InChIKeyVRDPIJDRSGUDPU-YUMQZZPRSA-N
MW230.26 g/mol
LogP0.48
Rot. Bonds2

About (3S,6S)-1,4-dihydroxy-3,6-di(propan-2-yl)piperazine-2,5-dione

(3S,6S)-1,4-dihydroxy-3,6-di(propan-2-yl)piperazine-2,5-dione (PubChem CID 101282626) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (3S,6S)-1,4-dihydroxy-3,6-di(propan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name(3S,6S)-1,4-dihydroxy-3,6-di(propan-2-yl)piperazine-2,5-dione
PubChem CID101282626
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(3S,6S)-1,4-dihydroxy-3,6-di(propan-2-yl)piperazine-2,5-dione
SMILESCC(C)[C@H]1C(=O)N(O)[C@@H](C(C)C)C(=O)N1O
InChIInChI=1S/C10H18N2O4/c1-5(2)7-9(13)12(16)8(6(3)4)10(14)11(7)15/h5-8,15-16H,1-4H3/t7-,8-/m0/s1
InChIKeyVRDPIJDRSGUDPU-YUMQZZPRSA-N
XLogP0.48
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.48
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,6S)-1,4-dihydroxy-3,6-di(propan-2-yl)piperazine-2,5-dione?
The IUPAC name of (3S,6S)-1,4-dihydroxy-3,6-di(propan-2-yl)piperazine-2,5-dione (CID 101282626) is (3S,6S)-1,4-dihydroxy-3,6-di(propan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for (3S,6S)-1,4-dihydroxy-3,6-di(propan-2-yl)piperazine-2,5-dione?
The canonical SMILES for (3S,6S)-1,4-dihydroxy-3,6-di(propan-2-yl)piperazine-2,5-dione is CC(C)[C@H]1C(=O)N(O)[C@@H](C(C)C)C(=O)N1O.
What is the InChIKey of (3S,6S)-1,4-dihydroxy-3,6-di(propan-2-yl)piperazine-2,5-dione?
The InChIKey is VRDPIJDRSGUDPU-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-5(2)7-9(13)12(16)8(6(3)4)10(14)11(7)15/h5-8,15-16H,1-4H3/t7-,8-/m0/s1.
What are the key properties of (3S,6S)-1,4-dihydroxy-3,6-di(propan-2-yl)piperazine-2,5-dione?
(3S,6S)-1,4-dihydroxy-3,6-di(propan-2-yl)piperazine-2,5-dione has a molecular weight of 230.26 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-1,4-dihydroxy-3,6-di(propan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 101282626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).