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

C4H10KN3O2 — CID 173111942

IUPACpotassium;2-[carbamimidoyl(methyl)amino]acetic acid;hydride
SMILES[H-].[H]/N=C(\N)N(C)CC(=O)O.[K+]
InChIInChI=1S/C4H9N3O2.K.H/c1-7(4(5)6)2-3(8)9;;/h2H2,1H3,(H3,5,6)(H,8,9);;/q;+1;-1
InChIKeyOLXUOMSVMWAOCB-UHFFFAOYSA-N
MW171.24 g/mol
LogP-3.99
Rot. Bonds2

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

potassium;2-[carbamimidoyl(methyl)amino]acetic acid;hydride (PubChem CID 173111942) has the molecular formula C4H10KN3O2 and a molecular weight of 171.24 g/mol. Its IUPAC name is potassium;2-[carbamimidoyl(methyl)amino]acetic acid;hydride.

Molecular Properties

Compound Namepotassium;2-[carbamimidoyl(methyl)amino]acetic acid;hydride
PubChem CID173111942
Molecular FormulaC4H10KN3O2
Molecular Weight171.24 g/mol
Exact Mass171.04
IUPAC Namepotassium;2-[carbamimidoyl(methyl)amino]acetic acid;hydride
SMILES[H-].[H]/N=C(\N)N(C)CC(=O)O.[K+]
InChIInChI=1S/C4H9N3O2.K.H/c1-7(4(5)6)2-3(8)9;;/h2H2,1H3,(H3,5,6)(H,8,9);;/q;+1;-1
InChIKeyOLXUOMSVMWAOCB-UHFFFAOYSA-N
XLogP-3.99
TPSA90.41 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-3.99
H-Bond Donors ≤ 53
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 potassium;2-[carbamimidoyl(methyl)amino]acetic acid;hydride?
The IUPAC name of potassium;2-[carbamimidoyl(methyl)amino]acetic acid;hydride (CID 173111942) is potassium;2-[carbamimidoyl(methyl)amino]acetic acid;hydride.
What is the SMILES notation for potassium;2-[carbamimidoyl(methyl)amino]acetic acid;hydride?
The canonical SMILES for potassium;2-[carbamimidoyl(methyl)amino]acetic acid;hydride is [H-].[H]/N=C(\N)N(C)CC(=O)O.[K+].
What is the InChIKey of potassium;2-[carbamimidoyl(methyl)amino]acetic acid;hydride?
The InChIKey is OLXUOMSVMWAOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O2.K.H/c1-7(4(5)6)2-3(8)9;;/h2H2,1H3,(H3,5,6)(H,8,9);;/q;+1;-1.
What are the key properties of potassium;2-[carbamimidoyl(methyl)amino]acetic acid;hydride?
potassium;2-[carbamimidoyl(methyl)amino]acetic acid;hydride has a molecular weight of 171.24 g/mol, XLogP of -3.99, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-[carbamimidoyl(methyl)amino]acetic acid;hydride is sourced from PubChem (CID 173111942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).