acetic acid;2-[carbamimidoyl(methyl)amino]acetic acid

C6H13N3O4 — CID 10307919

IUPACacetic acid;2-[carbamimidoyl(methyl)amino]acetic acid
SMILESCC(=O)O.[H]/N=C(\N)N(C)CC(=O)O
InChIInChI=1S/C4H9N3O2.C2H4O2/c1-7(4(5)6)2-3(8)9;1-2(3)4/h2H2,1H3,(H3,5,6)(H,8,9);1H3,(H,3,4)
InChIKeySOMSSOUTUSIHFN-UHFFFAOYSA-N
MW191.19 g/mol
LogP-1.01
Rot. Bonds2

About acetic acid;2-[carbamimidoyl(methyl)amino]acetic acid

acetic acid;2-[carbamimidoyl(methyl)amino]acetic acid (PubChem CID 10307919) has the molecular formula C6H13N3O4 and a molecular weight of 191.19 g/mol. Its IUPAC name is acetic acid;2-[carbamimidoyl(methyl)amino]acetic acid.

Molecular Properties

Compound Nameacetic acid;2-[carbamimidoyl(methyl)amino]acetic acid
PubChem CID10307919
Molecular FormulaC6H13N3O4
Molecular Weight191.19 g/mol
Exact Mass191.09
IUPAC Nameacetic acid;2-[carbamimidoyl(methyl)amino]acetic acid
SMILESCC(=O)O.[H]/N=C(\N)N(C)CC(=O)O
InChIInChI=1S/C4H9N3O2.C2H4O2/c1-7(4(5)6)2-3(8)9;1-2(3)4/h2H2,1H3,(H3,5,6)(H,8,9);1H3,(H,3,4)
InChIKeySOMSSOUTUSIHFN-UHFFFAOYSA-N
XLogP-1.01
TPSA127.71 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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 acetic acid;2-[carbamimidoyl(methyl)amino]acetic acid?
The IUPAC name of acetic acid;2-[carbamimidoyl(methyl)amino]acetic acid (CID 10307919) is acetic acid;2-[carbamimidoyl(methyl)amino]acetic acid.
What is the SMILES notation for acetic acid;2-[carbamimidoyl(methyl)amino]acetic acid?
The canonical SMILES for acetic acid;2-[carbamimidoyl(methyl)amino]acetic acid is CC(=O)O.[H]/N=C(\N)N(C)CC(=O)O.
What is the InChIKey of acetic acid;2-[carbamimidoyl(methyl)amino]acetic acid?
The InChIKey is SOMSSOUTUSIHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O2.C2H4O2/c1-7(4(5)6)2-3(8)9;1-2(3)4/h2H2,1H3,(H3,5,6)(H,8,9);1H3,(H,3,4).
What are the key properties of acetic acid;2-[carbamimidoyl(methyl)amino]acetic acid?
acetic acid;2-[carbamimidoyl(methyl)amino]acetic acid has a molecular weight of 191.19 g/mol, XLogP of -1.01, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-[carbamimidoyl(methyl)amino]acetic acid is sourced from PubChem (CID 10307919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).