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

C4H10N4O5 — CID 25231507

IUPAC2-[carbamimidoyl(methyl)amino]acetic acid;nitric acid
SMILESO=[N+]([O-])O.[H]/N=C(\N)N(C)CC(=O)O
InChIInChI=1S/C4H9N3O2.HNO3/c1-7(4(5)6)2-3(8)9;2-1(3)4/h2H2,1H3,(H3,5,6)(H,8,9);(H,2,3,4)
InChIKeyMBSCHHMCRIMBDZ-UHFFFAOYSA-N
MW194.15 g/mol
LogP-1.45
Rot. Bonds2

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

2-[carbamimidoyl(methyl)amino]acetic acid;nitric acid (PubChem CID 25231507) has the molecular formula C4H10N4O5 and a molecular weight of 194.15 g/mol. Its IUPAC name is 2-[carbamimidoyl(methyl)amino]acetic acid;nitric acid.

Molecular Properties

Compound Name2-[carbamimidoyl(methyl)amino]acetic acid;nitric acid
PubChem CID25231507
Molecular FormulaC4H10N4O5
Molecular Weight194.15 g/mol
Exact Mass194.07
IUPAC Name2-[carbamimidoyl(methyl)amino]acetic acid;nitric acid
SMILESO=[N+]([O-])O.[H]/N=C(\N)N(C)CC(=O)O
InChIInChI=1S/C4H9N3O2.HNO3/c1-7(4(5)6)2-3(8)9;2-1(3)4/h2H2,1H3,(H3,5,6)(H,8,9);(H,2,3,4)
InChIKeyMBSCHHMCRIMBDZ-UHFFFAOYSA-N
XLogP-1.45
TPSA153.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[carbamimidoyl(methyl)amino]acetic acid;nitric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[carbamimidoyl(methyl)amino]acetic acid;nitric acid?
The IUPAC name of 2-[carbamimidoyl(methyl)amino]acetic acid;nitric acid (CID 25231507) is 2-[carbamimidoyl(methyl)amino]acetic acid;nitric acid.
What is the SMILES notation for 2-[carbamimidoyl(methyl)amino]acetic acid;nitric acid?
The canonical SMILES for 2-[carbamimidoyl(methyl)amino]acetic acid;nitric acid is O=[N+]([O-])O.[H]/N=C(\N)N(C)CC(=O)O.
What is the InChIKey of 2-[carbamimidoyl(methyl)amino]acetic acid;nitric acid?
The InChIKey is MBSCHHMCRIMBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O2.HNO3/c1-7(4(5)6)2-3(8)9;2-1(3)4/h2H2,1H3,(H3,5,6)(H,8,9);(H,2,3,4).
What are the key properties of 2-[carbamimidoyl(methyl)amino]acetic acid;nitric acid?
2-[carbamimidoyl(methyl)amino]acetic acid;nitric acid has a molecular weight of 194.15 g/mol, XLogP of -1.45, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carbamimidoyl(methyl)amino]acetic acid;nitric acid is sourced from PubChem (CID 25231507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).