Cyclo(arginylglycyl)

C8H15N5O2 — CID 188269

IUPAC2-[3-[(2S)-3,6-dioxopiperazin-2-yl]propyl]guanidine
SMILESC1C(=O)N[C@H](C(=O)N1)CCCN=C(N)N
InChIInChI=1S/C8H15N5O2/c9-8(10)11-3-1-2-5-7(15)12-4-6(14)13-5/h5H,1-4H2,(H,12,15)(H,13,14)(H4,9,10,11)/t5-/m0/s1
InChIKeyPNLUYLZSPGHNSN-YFKPBYRVSA-N
MW213.24 g/mol
LogP-2.10
Rot. Bonds4

About Cyclo(arginylglycyl)

Cyclo(arginylglycyl) (PubChem CID 188269) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-[3-[(2S)-3,6-dioxopiperazin-2-yl]propyl]guanidine.

Molecular Properties

Compound NameCyclo(arginylglycyl)
PubChem CID188269
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC Name2-[3-[(2S)-3,6-dioxopiperazin-2-yl]propyl]guanidine
SMILESC1C(=O)N[C@H](C(=O)N1)CCCN=C(N)N
InChIInChI=1S/C8H15N5O2/c9-8(10)11-3-1-2-5-7(15)12-4-6(14)13-5/h5H,1-4H2,(H,12,15)(H,13,14)(H4,9,10,11)/t5-/m0/s1
InChIKeyPNLUYLZSPGHNSN-YFKPBYRVSA-N
XLogP-2.10
TPSA123.00 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity285

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-2.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Verpacamide A
CID 449095
Ciraparantag
CID 71576543
Ac-ARA-NH2
CID 46864279
Amino({3-[(3s,8as)-1,4-Dioxooctahydropyrrolo[1,2-A]pyrazin-3-Yl]propyl}amino)methaniminium
CID 5288107
N-((S)-3-Amino-4-oxo-4-piperidin-1-yl-butyl)-guanidine
CID 10059633
N-[3-Amino-1-(piperidine-1-carbonyl)-propyl]-guanidine
CID 10376453
N-(4-Amino-5-oxo-5-piperidin-1-yl-pentyl)-guanidine
CID 20198196
(S)-2-Amino-5-guanidino-pentanoic acid [(1-formyl-4-guanidino-butylcarbamoyl)-methyl]-amide
CID 53864431
Ac-ARA-CONHMe
CID 46889986
Novexatin
CID 16679727
N~5~-(Diaminomethylidene)-D-ornithyl-N~5~-(diaminomethylidene)-D-ornithyl-N~5~-(diaminomethylidene)-D-ornithyl-N~5~-(diaminomethylidene)-D-ornithyl-N~5~-(diaminomethylidene)-D-ornithyl-N~5~-(diaminomethylidene)-D-ornithinamide
CID 57358476
H-Arg-Arg-Arg-Arg-NH2
CID 137637952

Frequently Asked Questions

What is the IUPAC name of Cyclo(arginylglycyl)?
The IUPAC name of Cyclo(arginylglycyl) (CID 188269) is 2-[3-[(2S)-3,6-dioxopiperazin-2-yl]propyl]guanidine.
What is the SMILES notation for Cyclo(arginylglycyl)?
The canonical SMILES for Cyclo(arginylglycyl) is C1C(=O)N[C@H](C(=O)N1)CCCN=C(N)N.
What is the InChIKey of Cyclo(arginylglycyl)?
The InChIKey is PNLUYLZSPGHNSN-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H15N5O2/c9-8(10)11-3-1-2-5-7(15)12-4-6(14)13-5/h5H,1-4H2,(H,12,15)(H,13,14)(H4,9,10,11)/t5-/m0/s1.
What are the key properties of Cyclo(arginylglycyl)?
Cyclo(arginylglycyl) has a molecular weight of 213.24 g/mol, XLogP of -2.10, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Cyclo(arginylglycyl) is sourced from PubChem (CID 188269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).