(3S)-3-methyl-1-propan-2-ylpiperazine-2,5-dione

C8H14N2O2 — CID 164760236

IUPAC(3S)-3-methyl-1-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)N1CC(=O)N[C@@H](C)C1=O
InChIInChI=1S/C8H14N2O2/c1-5(2)10-4-7(11)9-6(3)8(10)12/h5-6H,4H2,1-3H3,(H,9,11)/t6-/m0/s1
InChIKeyMZMFKHLHEGDKNM-LURJTMIESA-N
MW170.21 g/mol
LogP-0.26
Rot. Bonds1

About (3S)-3-methyl-1-propan-2-ylpiperazine-2,5-dione

(3S)-3-methyl-1-propan-2-ylpiperazine-2,5-dione (PubChem CID 164760236) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (3S)-3-methyl-1-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-methyl-1-propan-2-ylpiperazine-2,5-dione
PubChem CID164760236
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(3S)-3-methyl-1-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)N1CC(=O)N[C@@H](C)C1=O
InChIInChI=1S/C8H14N2O2/c1-5(2)10-4-7(11)9-6(3)8(10)12/h5-6H,4H2,1-3H3,(H,9,11)/t6-/m0/s1
InChIKeyMZMFKHLHEGDKNM-LURJTMIESA-N
XLogP-0.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of (3S)-3-methyl-1-propan-2-ylpiperazine-2,5-dione (CID 164760236) is (3S)-3-methyl-1-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for (3S)-3-methyl-1-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for (3S)-3-methyl-1-propan-2-ylpiperazine-2,5-dione is CC(C)N1CC(=O)N[C@@H](C)C1=O.
What is the InChIKey of (3S)-3-methyl-1-propan-2-ylpiperazine-2,5-dione?
The InChIKey is MZMFKHLHEGDKNM-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N2O2/c1-5(2)10-4-7(11)9-6(3)8(10)12/h5-6H,4H2,1-3H3,(H,9,11)/t6-/m0/s1.
What are the key properties of (3S)-3-methyl-1-propan-2-ylpiperazine-2,5-dione?
(3S)-3-methyl-1-propan-2-ylpiperazine-2,5-dione has a molecular weight of 170.21 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 164760236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).