4-[methyl(methylamino)amino]butanoic acid

C6H14N2O2 — CID 143573118

IUPAC4-[methyl(methylamino)amino]butanoic acid
SMILESCNN(C)CCCC(=O)O
InChIInChI=1S/C6H14N2O2/c1-7-8(2)5-3-4-6(9)10/h7H,3-5H2,1-2H3,(H,9,10)
InChIKeyHSWGDOBAIWMBEK-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.08
Rot. Bonds5

About 4-[methyl(methylamino)amino]butanoic acid

4-[methyl(methylamino)amino]butanoic acid (PubChem CID 143573118) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 4-[methyl(methylamino)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(methylamino)amino]butanoic acid
PubChem CID143573118
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name4-[methyl(methylamino)amino]butanoic acid
SMILESCNN(C)CCCC(=O)O
InChIInChI=1S/C6H14N2O2/c1-7-8(2)5-3-4-6(9)10/h7H,3-5H2,1-2H3,(H,9,10)
InChIKeyHSWGDOBAIWMBEK-UHFFFAOYSA-N
XLogP-0.08
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[hydroxy(methyl)amino]butanoic acid
CID 130868262
4-(dimethylamino)butanoic acid;molecular chlorine
CID 174526336
4-[bis(2-carboxyethyl)amino]butanoic acid
CID 82330594
3-[2-carboxyethyl(methyl)amino]propanoic acid;methane
CID 90204033
4-[2-carboxyethyl(ethyl)amino]butanoic acid
CID 82330570
CID 87067075
CID 87067075
4-[methyl-[3-(methylcarbamoylamino)-3-oxopropyl]amino]butanoic acid
CID 55006167
3-[methyl((113C)methyl)amino]propanoic acid;hydrochloride
CID 172746252
4-[2-fluoroethyl(methyl)amino]butanoic acid
CID 80694935
5-[dimethylamino(methylcarbamoyl)amino]pentanoic acid
CID 54378466
N,N-dimethyl-6-[methyl(methylamino)amino]hexan-1-amine
CID 137380902
3-[amino(methyl)amino]propanoic acid;ethane
CID 144503936

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(methylamino)amino]butanoic acid?
The IUPAC name of 4-[methyl(methylamino)amino]butanoic acid (CID 143573118) is 4-[methyl(methylamino)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(methylamino)amino]butanoic acid?
The canonical SMILES for 4-[methyl(methylamino)amino]butanoic acid is CNN(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl(methylamino)amino]butanoic acid?
The InChIKey is HSWGDOBAIWMBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-7-8(2)5-3-4-6(9)10/h7H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 4-[methyl(methylamino)amino]butanoic acid?
4-[methyl(methylamino)amino]butanoic acid has a molecular weight of 146.19 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(methylamino)amino]butanoic acid is sourced from PubChem (CID 143573118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).