1-carbamimidoylguanidine;octanedioic acid

C10H21N5O4 — CID 176518629

IUPAC1-carbamimidoylguanidine;octanedioic acid
SMILESO=C(O)CCCCCCC(=O)O.[H]/N=C(\N)N/C(N)=N/[H]
InChIInChI=1S/C8H14O4.C2H7N5/c9-7(10)5-3-1-2-4-6-8(11)12;3-1(4)7-2(5)6/h1-6H2,(H,9,10)(H,11,12);(H7,3,4,5,6,7)
InChIKeyZNIIJCPXQUQLRJ-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.14
Rot. Bonds7

About 1-carbamimidoylguanidine;octanedioic acid

1-carbamimidoylguanidine;octanedioic acid (PubChem CID 176518629) has the molecular formula C10H21N5O4 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-carbamimidoylguanidine;octanedioic acid.

Molecular Properties

Compound Name1-carbamimidoylguanidine;octanedioic acid
PubChem CID176518629
Molecular FormulaC10H21N5O4
Molecular Weight275.31 g/mol
Exact Mass275.16
IUPAC Name1-carbamimidoylguanidine;octanedioic acid
SMILESO=C(O)CCCCCCC(=O)O.[H]/N=C(\N)N/C(N)=N/[H]
InChIInChI=1S/C8H14O4.C2H7N5/c9-7(10)5-3-1-2-4-6-8(11)12;3-1(4)7-2(5)6/h1-6H2,(H,9,10)(H,11,12);(H7,3,4,5,6,7)
InChIKeyZNIIJCPXQUQLRJ-UHFFFAOYSA-N
XLogP-0.14
TPSA186.37 Ų
H-Bond Donors7
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.14
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 104

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

8-amino-8-iminooctanoic acid
CID 139654610
34-amino-34-oxotetratriacontanoic acid
CID 139682719
24-amino-24-oxotetracosanoic acid
CID 139682769
1-carbamimidoylguanidine;methane
CID 176544517
heptadecanedioic acid
CID 3083765
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tridecanedioic acid;undecanedioic acid
CID 158333715
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoylguanidine;octanedioic acid?
The IUPAC name of 1-carbamimidoylguanidine;octanedioic acid (CID 176518629) is 1-carbamimidoylguanidine;octanedioic acid.
What is the SMILES notation for 1-carbamimidoylguanidine;octanedioic acid?
The canonical SMILES for 1-carbamimidoylguanidine;octanedioic acid is O=C(O)CCCCCCC(=O)O.[H]/N=C(\N)N/C(N)=N/[H].
What is the InChIKey of 1-carbamimidoylguanidine;octanedioic acid?
The InChIKey is ZNIIJCPXQUQLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4.C2H7N5/c9-7(10)5-3-1-2-4-6-8(11)12;3-1(4)7-2(5)6/h1-6H2,(H,9,10)(H,11,12);(H7,3,4,5,6,7).
What are the key properties of 1-carbamimidoylguanidine;octanedioic acid?
1-carbamimidoylguanidine;octanedioic acid has a molecular weight of 275.31 g/mol, XLogP of -0.14, 7 rotatable bonds, 7 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoylguanidine;octanedioic acid is sourced from PubChem (CID 176518629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).