Cyclo(L-Leu-D-Pro)

C11H18N2O2 — CID 7074740

IUPAC(3S,8aR)-3-(2-methylpropyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCC(C)C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1
InChIInChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)/t8-,9+/m0/s1
InChIKeySZJNCZMRZAUNQT-DTWKUNHWSA-N
MW210.27 g/mol
LogP1.10
Rot. Bonds2

About Cyclo(L-Leu-D-Pro)

Cyclo(L-Leu-D-Pro) (PubChem CID 7074740) has the molecular formula C11H18N2O2 and a molecular weight of 210.27 g/mol. Its IUPAC name is (3S,8aR)-3-(2-methylpropyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound NameCyclo(L-Leu-D-Pro)
PubChem CID7074740
Molecular FormulaC11H18N2O2
Molecular Weight210.27 g/mol
Exact Mass210.14
IUPAC Name(3S,8aR)-3-(2-methylpropyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCC(C)C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1
InChIInChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)/t8-,9+/m0/s1
InChIKeySZJNCZMRZAUNQT-DTWKUNHWSA-N
XLogP1.10
TPSA49.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity288

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclo(prolylglycyl)
CID 126154
Melanostatin
CID 92910
Gancidin W
CID 7074739
3-Isobutylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 102892
Posatirelin
CID 71230
3-Methyl-octahydropyrrolo(1,2-a)piperazine-1,4-dione
CID 6428987
Cyclo(glycylprolyl)
CID 193540
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

Frequently Asked Questions

What is the IUPAC name of Cyclo(L-Leu-D-Pro)?
The IUPAC name of Cyclo(L-Leu-D-Pro) (CID 7074740) is (3S,8aR)-3-(2-methylpropyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for Cyclo(L-Leu-D-Pro)?
The canonical SMILES for Cyclo(L-Leu-D-Pro) is CC(C)C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1.
What is the InChIKey of Cyclo(L-Leu-D-Pro)?
The InChIKey is SZJNCZMRZAUNQT-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)/t8-,9+/m0/s1.
What are the key properties of Cyclo(L-Leu-D-Pro)?
Cyclo(L-Leu-D-Pro) has a molecular weight of 210.27 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Cyclo(L-Leu-D-Pro) is sourced from PubChem (CID 7074740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).