3-(methylaminomethylamino)-3-oxopropanoate

C5H9N2O3- — CID 59283319

IUPAC3-(methylaminomethylamino)-3-oxopropanoate
SMILESCNCNC(=O)CC(=O)[O-]
InChIInChI=1S/C5H10N2O3/c1-6-3-7-4(8)2-5(9)10/h6H,2-3H2,1H3,(H,7,8)(H,9,10)/p-1
InChIKeyCHRSQGOYJVBYLV-UHFFFAOYSA-M
MW145.14 g/mol
LogP-2.58
Rot. Bonds4

About 3-(methylaminomethylamino)-3-oxopropanoate

3-(methylaminomethylamino)-3-oxopropanoate (PubChem CID 59283319) has the molecular formula C5H9N2O3- and a molecular weight of 145.14 g/mol. Its IUPAC name is 3-(methylaminomethylamino)-3-oxopropanoate.

Molecular Properties

Compound Name3-(methylaminomethylamino)-3-oxopropanoate
PubChem CID59283319
Molecular FormulaC5H9N2O3-
Molecular Weight145.14 g/mol
Exact Mass145.06
IUPAC Name3-(methylaminomethylamino)-3-oxopropanoate
SMILESCNCNC(=O)CC(=O)[O-]
InChIInChI=1S/C5H10N2O3/c1-6-3-7-4(8)2-5(9)10/h6H,2-3H2,1H3,(H,7,8)(H,9,10)/p-1
InChIKeyCHRSQGOYJVBYLV-UHFFFAOYSA-M
XLogP-2.58
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 5-2.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dipotassium bis(2-(methylamino)acetate)
CID 139682425
methane;methanethiol;N-(methylaminomethyl)propanamide
CID 143701183
disodium;acetic acid;2-(methylamino)acetate;acetate
CID 173189557
N'-[acetamido(dihydroxy)methyl]-N-(methylaminomethyl)propanediamide
CID 58721399
bis(neodymium(3+));tris(propanedioate)
CID 159312291
bis(praseodymium(3+));tris(propanedioate)
CID 159601608
hydron;propanedioate
CID 23511544
iron(2+);propanedioate
CID 14944028
2-(methylaminomethylamino)-2-oxoacetic acid
CID 117126335
azanium;iron(3+);bis(propanedioate)
CID 160868163
copper;propanedioate;hydrate
CID 155143676
tris(3-oxobutanoate);vanadium
CID 14671412

Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethylamino)-3-oxopropanoate?
The IUPAC name of 3-(methylaminomethylamino)-3-oxopropanoate (CID 59283319) is 3-(methylaminomethylamino)-3-oxopropanoate.
What is the SMILES notation for 3-(methylaminomethylamino)-3-oxopropanoate?
The canonical SMILES for 3-(methylaminomethylamino)-3-oxopropanoate is CNCNC(=O)CC(=O)[O-].
What is the InChIKey of 3-(methylaminomethylamino)-3-oxopropanoate?
The InChIKey is CHRSQGOYJVBYLV-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10N2O3/c1-6-3-7-4(8)2-5(9)10/h6H,2-3H2,1H3,(H,7,8)(H,9,10)/p-1.
What are the key properties of 3-(methylaminomethylamino)-3-oxopropanoate?
3-(methylaminomethylamino)-3-oxopropanoate has a molecular weight of 145.14 g/mol, XLogP of -2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethylamino)-3-oxopropanoate is sourced from PubChem (CID 59283319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).