2-[[amino(methylamino)methyl]amino]-2-oxoacetic acid

C4H9N3O3 — CID 55289959

IUPAC2-[[amino(methylamino)methyl]amino]-2-oxoacetic acid
SMILESCNC(N)NC(=O)C(=O)O
InChIInChI=1S/C4H9N3O3/c1-6-4(5)7-2(8)3(9)10/h4,6H,5H2,1H3,(H,7,8)(H,9,10)
InChIKeyRQMYHKJRTOIMHU-UHFFFAOYSA-N
MW147.13 g/mol
LogP-2.35
Rot. Bonds2

About 2-[[amino(methylamino)methyl]amino]-2-oxoacetic acid

2-[[amino(methylamino)methyl]amino]-2-oxoacetic acid (PubChem CID 55289959) has the molecular formula C4H9N3O3 and a molecular weight of 147.13 g/mol. Its IUPAC name is 2-[[amino(methylamino)methyl]amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[[amino(methylamino)methyl]amino]-2-oxoacetic acid
PubChem CID55289959
Molecular FormulaC4H9N3O3
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Name2-[[amino(methylamino)methyl]amino]-2-oxoacetic acid
SMILESCNC(N)NC(=O)C(=O)O
InChIInChI=1S/C4H9N3O3/c1-6-4(5)7-2(8)3(9)10/h4,6H,5H2,1H3,(H,7,8)(H,9,10)
InChIKeyRQMYHKJRTOIMHU-UHFFFAOYSA-N
XLogP-2.35
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-2.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[amino(methylamino)methyl]amino]-2-oxoacetic acid?
The IUPAC name of 2-[[amino(methylamino)methyl]amino]-2-oxoacetic acid (CID 55289959) is 2-[[amino(methylamino)methyl]amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[[amino(methylamino)methyl]amino]-2-oxoacetic acid?
The canonical SMILES for 2-[[amino(methylamino)methyl]amino]-2-oxoacetic acid is CNC(N)NC(=O)C(=O)O.
What is the InChIKey of 2-[[amino(methylamino)methyl]amino]-2-oxoacetic acid?
The InChIKey is RQMYHKJRTOIMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O3/c1-6-4(5)7-2(8)3(9)10/h4,6H,5H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 2-[[amino(methylamino)methyl]amino]-2-oxoacetic acid?
2-[[amino(methylamino)methyl]amino]-2-oxoacetic acid has a molecular weight of 147.13 g/mol, XLogP of -2.35, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(methylamino)methyl]amino]-2-oxoacetic acid is sourced from PubChem (CID 55289959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).