2-(methylaminomethylamino)-2-oxoacetic acid

C4H8N2O3 — CID 117126335

IUPAC2-(methylaminomethylamino)-2-oxoacetic acid
SMILESCNCNC(=O)C(=O)O
InChIInChI=1S/C4H8N2O3/c1-5-2-6-3(7)4(8)9/h5H,2H2,1H3,(H,6,7)(H,8,9)
InChIKeyQLYWGEYTJGYMLT-UHFFFAOYSA-N
MW132.12 g/mol
LogP-1.64
Rot. Bonds2

About 2-(methylaminomethylamino)-2-oxoacetic acid

2-(methylaminomethylamino)-2-oxoacetic acid (PubChem CID 117126335) has the molecular formula C4H8N2O3 and a molecular weight of 132.12 g/mol. Its IUPAC name is 2-(methylaminomethylamino)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(methylaminomethylamino)-2-oxoacetic acid
PubChem CID117126335
Molecular FormulaC4H8N2O3
Molecular Weight132.12 g/mol
Exact Mass132.05
IUPAC Name2-(methylaminomethylamino)-2-oxoacetic acid
SMILESCNCNC(=O)C(=O)O
InChIInChI=1S/C4H8N2O3/c1-5-2-6-3(7)4(8)9/h5H,2H2,1H3,(H,6,7)(H,8,9)
InChIKeyQLYWGEYTJGYMLT-UHFFFAOYSA-N
XLogP-1.64
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Related Compounds

2-(ethylamino)-2-oxoacetic acid;hydrochloride
CID 87148402
2-oxo-2-(1,1,2,2,2-pentadeuterioethylamino)acetic acid
CID 131708836
2-(aminomethylamino)-2-oxoacetic acid
CID 117126334
2-[(2-amino-2-methylpropyl)amino]-2-oxoacetic acid
CID 131207029
2-(5-methylhexylamino)-2-oxoacetic acid
CID 115326868
2-(7-methyloctylamino)-2-oxoacetic acid
CID 104766982
2-(carboxymethylamino)-2-oxoacetic acid;ethene
CID 142170274
3-(methylaminomethylamino)-3-oxopropanoate
CID 59283319
2-(2-methylbutylamino)-2-oxoacetic acid
CID 62693347
2-(3-methylbut-3-enylamino)-2-oxoacetic acid
CID 131228066
carbamothioic S-acid;methylaminomethylcarbamothioic S-acid
CID 175226561
3-(oxaloamino)propanoic acid;hydrochloride
CID 89155811

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethylamino)-2-oxoacetic acid?
The IUPAC name of 2-(methylaminomethylamino)-2-oxoacetic acid (CID 117126335) is 2-(methylaminomethylamino)-2-oxoacetic acid.
What is the SMILES notation for 2-(methylaminomethylamino)-2-oxoacetic acid?
The canonical SMILES for 2-(methylaminomethylamino)-2-oxoacetic acid is CNCNC(=O)C(=O)O.
What is the InChIKey of 2-(methylaminomethylamino)-2-oxoacetic acid?
The InChIKey is QLYWGEYTJGYMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3/c1-5-2-6-3(7)4(8)9/h5H,2H2,1H3,(H,6,7)(H,8,9).
What are the key properties of 2-(methylaminomethylamino)-2-oxoacetic acid?
2-(methylaminomethylamino)-2-oxoacetic acid has a molecular weight of 132.12 g/mol, XLogP of -1.64, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethylamino)-2-oxoacetic acid is sourced from PubChem (CID 117126335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).