3-[methyl-(methylideneamino)amino]propanoic acid

C5H10N2O2 — CID 144525641

IUPAC3-[methyl-(methylideneamino)amino]propanoic acid
SMILESC=NN(C)CCC(=O)O
InChIInChI=1S/C5H10N2O2/c1-6-7(2)4-3-5(8)9/h1,3-4H2,2H3,(H,8,9)
InChIKeyDPKCABGNPJPOCL-UHFFFAOYSA-N
MW130.15 g/mol
LogP0.01
Rot. Bonds4

About 3-[methyl-(methylideneamino)amino]propanoic acid

3-[methyl-(methylideneamino)amino]propanoic acid (PubChem CID 144525641) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 3-[methyl-(methylideneamino)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-(methylideneamino)amino]propanoic acid
PubChem CID144525641
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name3-[methyl-(methylideneamino)amino]propanoic acid
SMILESC=NN(C)CCC(=O)O
InChIInChI=1S/C5H10N2O2/c1-6-7(2)4-3-5(8)9/h1,3-4H2,2H3,(H,8,9)
InChIKeyDPKCABGNPJPOCL-UHFFFAOYSA-N
XLogP0.01
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(methylideneamino)amino]propanoic acid?
The IUPAC name of 3-[methyl-(methylideneamino)amino]propanoic acid (CID 144525641) is 3-[methyl-(methylideneamino)amino]propanoic acid.
What is the SMILES notation for 3-[methyl-(methylideneamino)amino]propanoic acid?
The canonical SMILES for 3-[methyl-(methylideneamino)amino]propanoic acid is C=NN(C)CCC(=O)O.
What is the InChIKey of 3-[methyl-(methylideneamino)amino]propanoic acid?
The InChIKey is DPKCABGNPJPOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-6-7(2)4-3-5(8)9/h1,3-4H2,2H3,(H,8,9).
What are the key properties of 3-[methyl-(methylideneamino)amino]propanoic acid?
3-[methyl-(methylideneamino)amino]propanoic acid has a molecular weight of 130.15 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(methylideneamino)amino]propanoic acid is sourced from PubChem (CID 144525641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).