Cyclo(alanyl-leucyl)

C9H16N2O2 — CID 13879946

IUPAC(3S,6S)-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
SMILESC[C@H]1C(=O)N[C@H](C(=O)N1)CC(C)C
InChIInChI=1S/C9H16N2O2/c1-5(2)4-7-9(13)10-6(3)8(12)11-7/h5-7H,4H2,1-3H3,(H,10,13)(H,11,12)/t6-,7-/m0/s1
InChIKeyDBJPZCJQDRPOME-BQBZGAKWSA-N
MW184.24 g/mol
LogP0.80
Rot. Bonds2

About Cyclo(alanyl-leucyl)

Cyclo(alanyl-leucyl) (PubChem CID 13879946) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (3S,6S)-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound NameCyclo(alanyl-leucyl)
PubChem CID13879946
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(3S,6S)-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
SMILESC[C@H]1C(=O)N[C@H](C(=O)N1)CC(C)C
InChIInChI=1S/C9H16N2O2/c1-5(2)4-7-9(13)10-6(3)8(12)11-7/h5-7H,4H2,1-3H3,(H,10,13)(H,11,12)/t6-,7-/m0/s1
InChIKeyDBJPZCJQDRPOME-BQBZGAKWSA-N
XLogP0.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity226

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Melanostatin
CID 92910
Gancidin W
CID 7074739
Valrocemide
CID 6918293
3-Isobutylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 102892
Cyclo(glycyl-L-leucyl)
CID 927723
Cyclo(L-leucyl-L-leucyl)
CID 192731
Cyclo(leucylglycine)
CID 2902
cyclo(L-Pro-L-Val)
CID 6992261
Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-(1-methylethyl)-
CID 98951
3-Isopropyl-6-methyl-2,5-dioxopiperazine
CID 139895
(3R,8aS)-Hexahydro-3-(2-methylpropyl)pyrrolo(1,2-a)pyrazine-1,4-dione
CID 927565
4-(Cyclopentanecarbonyl)piperazin-2-one
CID 833668

Frequently Asked Questions

What is the IUPAC name of Cyclo(alanyl-leucyl)?
The IUPAC name of Cyclo(alanyl-leucyl) (CID 13879946) is (3S,6S)-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for Cyclo(alanyl-leucyl)?
The canonical SMILES for Cyclo(alanyl-leucyl) is C[C@H]1C(=O)N[C@H](C(=O)N1)CC(C)C.
What is the InChIKey of Cyclo(alanyl-leucyl)?
The InChIKey is DBJPZCJQDRPOME-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-5(2)4-7-9(13)10-6(3)8(12)11-7/h5-7H,4H2,1-3H3,(H,10,13)(H,11,12)/t6-,7-/m0/s1.
What are the key properties of Cyclo(alanyl-leucyl)?
Cyclo(alanyl-leucyl) has a molecular weight of 184.24 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Cyclo(alanyl-leucyl) is sourced from PubChem (CID 13879946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).