amino 4-(methylamino)-4-oxobutanoate

C5H10N2O3 — CID 89307861

IUPACamino 4-(methylamino)-4-oxobutanoate
SMILESCNC(=O)CCC(=O)ON
InChIInChI=1S/C5H10N2O3/c1-7-4(8)2-3-5(9)10-6/h2-3,6H2,1H3,(H,7,8)
InChIKeyLFINXSBLSYJQHA-UHFFFAOYSA-N
MW146.15 g/mol
LogP-1.07
Rot. Bonds3

About amino 4-(methylamino)-4-oxobutanoate

amino 4-(methylamino)-4-oxobutanoate (PubChem CID 89307861) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is amino 4-(methylamino)-4-oxobutanoate.

Molecular Properties

Compound Nameamino 4-(methylamino)-4-oxobutanoate
PubChem CID89307861
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Nameamino 4-(methylamino)-4-oxobutanoate
SMILESCNC(=O)CCC(=O)ON
InChIInChI=1S/C5H10N2O3/c1-7-4(8)2-3-5(9)10-6/h2-3,6H2,1H3,(H,7,8)
InChIKeyLFINXSBLSYJQHA-UHFFFAOYSA-N
XLogP-1.07
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of amino 4-(methylamino)-4-oxobutanoate?
The IUPAC name of amino 4-(methylamino)-4-oxobutanoate (CID 89307861) is amino 4-(methylamino)-4-oxobutanoate.
What is the SMILES notation for amino 4-(methylamino)-4-oxobutanoate?
The canonical SMILES for amino 4-(methylamino)-4-oxobutanoate is CNC(=O)CCC(=O)ON.
What is the InChIKey of amino 4-(methylamino)-4-oxobutanoate?
The InChIKey is LFINXSBLSYJQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-7-4(8)2-3-5(9)10-6/h2-3,6H2,1H3,(H,7,8).
What are the key properties of amino 4-(methylamino)-4-oxobutanoate?
amino 4-(methylamino)-4-oxobutanoate has a molecular weight of 146.15 g/mol, XLogP of -1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 4-(methylamino)-4-oxobutanoate is sourced from PubChem (CID 89307861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).