2-[methyl-(N'-methylcarbamimidoyl)amino]acetic acid

C5H11N3O2 — CID 55287499

IUPAC2-[methyl-(N'-methylcarbamimidoyl)amino]acetic acid
SMILESC/N=C(\N)N(C)CC(=O)O
InChIInChI=1S/C5H11N3O2/c1-7-5(6)8(2)3-4(9)10/h3H2,1-2H3,(H2,6,7)(H,9,10)
InChIKeyKPOCKDMOGQXMFK-UHFFFAOYSA-N
MW145.16 g/mol
LogP-1.05
Rot. Bonds2

About 2-[methyl-(N'-methylcarbamimidoyl)amino]acetic acid

2-[methyl-(N'-methylcarbamimidoyl)amino]acetic acid (PubChem CID 55287499) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-[methyl-(N'-methylcarbamimidoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(N'-methylcarbamimidoyl)amino]acetic acid
PubChem CID55287499
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Name2-[methyl-(N'-methylcarbamimidoyl)amino]acetic acid
SMILESC/N=C(\N)N(C)CC(=O)O
InChIInChI=1S/C5H11N3O2/c1-7-5(6)8(2)3-4(9)10/h3H2,1-2H3,(H2,6,7)(H,9,10)
InChIKeyKPOCKDMOGQXMFK-UHFFFAOYSA-N
XLogP-1.05
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[methyl-(N'-methylcarbamimidoyl)amino]acetic acid?
The IUPAC name of 2-[methyl-(N'-methylcarbamimidoyl)amino]acetic acid (CID 55287499) is 2-[methyl-(N'-methylcarbamimidoyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(N'-methylcarbamimidoyl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(N'-methylcarbamimidoyl)amino]acetic acid is C/N=C(\N)N(C)CC(=O)O.
What is the InChIKey of 2-[methyl-(N'-methylcarbamimidoyl)amino]acetic acid?
The InChIKey is KPOCKDMOGQXMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2/c1-7-5(6)8(2)3-4(9)10/h3H2,1-2H3,(H2,6,7)(H,9,10).
What are the key properties of 2-[methyl-(N'-methylcarbamimidoyl)amino]acetic acid?
2-[methyl-(N'-methylcarbamimidoyl)amino]acetic acid has a molecular weight of 145.16 g/mol, XLogP of -1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(N'-methylcarbamimidoyl)amino]acetic acid is sourced from PubChem (CID 55287499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).