(3S,6S)-3,6-bis[(2R)-butan-2-yl]-1,4-dihydroxypiperazine-2,5-dione

C12H22N2O4 — CID 101282625

IUPAC(3S,6S)-3,6-bis[(2R)-butan-2-yl]-1,4-dihydroxypiperazine-2,5-dione
SMILESCC[C@@H](C)[C@H]1C(=O)N(O)[C@@H]([C@H](C)CC)C(=O)N1O
InChIInChI=1S/C12H22N2O4/c1-5-7(3)9-11(15)14(18)10(8(4)6-2)12(16)13(9)17/h7-10,17-18H,5-6H2,1-4H3/t7-,8-,9+,10+/m1/s1
InChIKeyCDDSBAXLZOLDTA-IMSYWVGJSA-N
MW258.32 g/mol
LogP1.26
Rot. Bonds4

About (3S,6S)-3,6-bis[(2R)-butan-2-yl]-1,4-dihydroxypiperazine-2,5-dione

(3S,6S)-3,6-bis[(2R)-butan-2-yl]-1,4-dihydroxypiperazine-2,5-dione (PubChem CID 101282625) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is (3S,6S)-3,6-bis[(2R)-butan-2-yl]-1,4-dihydroxypiperazine-2,5-dione.

Molecular Properties

Compound Name(3S,6S)-3,6-bis[(2R)-butan-2-yl]-1,4-dihydroxypiperazine-2,5-dione
PubChem CID101282625
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name(3S,6S)-3,6-bis[(2R)-butan-2-yl]-1,4-dihydroxypiperazine-2,5-dione
SMILESCC[C@@H](C)[C@H]1C(=O)N(O)[C@@H]([C@H](C)CC)C(=O)N1O
InChIInChI=1S/C12H22N2O4/c1-5-7(3)9-11(15)14(18)10(8(4)6-2)12(16)13(9)17/h7-10,17-18H,5-6H2,1-4H3/t7-,8-,9+,10+/m1/s1
InChIKeyCDDSBAXLZOLDTA-IMSYWVGJSA-N
XLogP1.26
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.26
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)-3,6-bis[(2R)-butan-2-yl]-1,4-dihydroxypiperazine-2,5-dione?
The IUPAC name of (3S,6S)-3,6-bis[(2R)-butan-2-yl]-1,4-dihydroxypiperazine-2,5-dione (CID 101282625) is (3S,6S)-3,6-bis[(2R)-butan-2-yl]-1,4-dihydroxypiperazine-2,5-dione.
What is the SMILES notation for (3S,6S)-3,6-bis[(2R)-butan-2-yl]-1,4-dihydroxypiperazine-2,5-dione?
The canonical SMILES for (3S,6S)-3,6-bis[(2R)-butan-2-yl]-1,4-dihydroxypiperazine-2,5-dione is CC[C@@H](C)[C@H]1C(=O)N(O)[C@@H]([C@H](C)CC)C(=O)N1O.
What is the InChIKey of (3S,6S)-3,6-bis[(2R)-butan-2-yl]-1,4-dihydroxypiperazine-2,5-dione?
The InChIKey is CDDSBAXLZOLDTA-IMSYWVGJSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-5-7(3)9-11(15)14(18)10(8(4)6-2)12(16)13(9)17/h7-10,17-18H,5-6H2,1-4H3/t7-,8-,9+,10+/m1/s1.
What are the key properties of (3S,6S)-3,6-bis[(2R)-butan-2-yl]-1,4-dihydroxypiperazine-2,5-dione?
(3S,6S)-3,6-bis[(2R)-butan-2-yl]-1,4-dihydroxypiperazine-2,5-dione has a molecular weight of 258.32 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-3,6-bis[(2R)-butan-2-yl]-1,4-dihydroxypiperazine-2,5-dione is sourced from PubChem (CID 101282625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).