2-[carbamimidoyl(methyl)amino]acetic acid;2-[(N,N'-dimethylcarbamimidoyl)-methylamino]acetic acid

C10H22N6O4 — CID 161212867

IUPAC2-[carbamimidoyl(methyl)amino]acetic acid;2-[(N,N'-dimethylcarbamimidoyl)-methylamino]acetic acid
SMILESC/N=C(\NC)N(C)CC(=O)O.[H]/N=C(\N)N(C)CC(=O)O
InChIInChI=1S/C6H13N3O2.C4H9N3O2/c1-7-6(8-2)9(3)4-5(10)11;1-7(4(5)6)2-3(8)9/h4H2,1-3H3,(H,7,8)(H,10,11);2H2,1H3,(H3,5,6)(H,8,9)
InChIKeyUWLXVDNIUZXUIT-UHFFFAOYSA-N
MW290.32 g/mol
LogP-1.90
Rot. Bonds4

About 2-[carbamimidoyl(methyl)amino]acetic acid;2-[(N,N'-dimethylcarbamimidoyl)-methylamino]acetic acid

2-[carbamimidoyl(methyl)amino]acetic acid;2-[(N,N'-dimethylcarbamimidoyl)-methylamino]acetic acid (PubChem CID 161212867) has the molecular formula C10H22N6O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[carbamimidoyl(methyl)amino]acetic acid;2-[(N,N'-dimethylcarbamimidoyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[carbamimidoyl(methyl)amino]acetic acid;2-[(N,N'-dimethylcarbamimidoyl)-methylamino]acetic acid
PubChem CID161212867
Molecular FormulaC10H22N6O4
Molecular Weight290.32 g/mol
Exact Mass290.17
IUPAC Name2-[carbamimidoyl(methyl)amino]acetic acid;2-[(N,N'-dimethylcarbamimidoyl)-methylamino]acetic acid
SMILESC/N=C(\NC)N(C)CC(=O)O.[H]/N=C(\N)N(C)CC(=O)O
InChIInChI=1S/C6H13N3O2.C4H9N3O2/c1-7-6(8-2)9(3)4-5(10)11;1-7(4(5)6)2-3(8)9/h4H2,1-3H3,(H,7,8)(H,10,11);2H2,1H3,(H3,5,6)(H,8,9)
InChIKeyUWLXVDNIUZXUIT-UHFFFAOYSA-N
XLogP-1.90
TPSA155.34 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-1.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[carbamimidoyl(methyl)amino]acetic acid;2-[(N,N'-dimethylcarbamimidoyl)-methylamino]acetic acid?
The IUPAC name of 2-[carbamimidoyl(methyl)amino]acetic acid;2-[(N,N'-dimethylcarbamimidoyl)-methylamino]acetic acid (CID 161212867) is 2-[carbamimidoyl(methyl)amino]acetic acid;2-[(N,N'-dimethylcarbamimidoyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[carbamimidoyl(methyl)amino]acetic acid;2-[(N,N'-dimethylcarbamimidoyl)-methylamino]acetic acid?
The canonical SMILES for 2-[carbamimidoyl(methyl)amino]acetic acid;2-[(N,N'-dimethylcarbamimidoyl)-methylamino]acetic acid is C/N=C(\NC)N(C)CC(=O)O.[H]/N=C(\N)N(C)CC(=O)O.
What is the InChIKey of 2-[carbamimidoyl(methyl)amino]acetic acid;2-[(N,N'-dimethylcarbamimidoyl)-methylamino]acetic acid?
The InChIKey is UWLXVDNIUZXUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2.C4H9N3O2/c1-7-6(8-2)9(3)4-5(10)11;1-7(4(5)6)2-3(8)9/h4H2,1-3H3,(H,7,8)(H,10,11);2H2,1H3,(H3,5,6)(H,8,9).
What are the key properties of 2-[carbamimidoyl(methyl)amino]acetic acid;2-[(N,N'-dimethylcarbamimidoyl)-methylamino]acetic acid?
2-[carbamimidoyl(methyl)amino]acetic acid;2-[(N,N'-dimethylcarbamimidoyl)-methylamino]acetic acid has a molecular weight of 290.32 g/mol, XLogP of -1.90, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carbamimidoyl(methyl)amino]acetic acid;2-[(N,N'-dimethylcarbamimidoyl)-methylamino]acetic acid is sourced from PubChem (CID 161212867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).