3-[amino(methyl)amino]propanoic acid;ethane

C6H16N2O2 — CID 144503936

IUPAC3-[amino(methyl)amino]propanoic acid;ethane
SMILESCC.CN(N)CCC(=O)O
InChIInChI=1S/C4H10N2O2.C2H6/c1-6(5)3-2-4(7)8;1-2/h2-3,5H2,1H3,(H,7,8);1-2H3
InChIKeyCLUFMUVUXCHUAW-UHFFFAOYSA-N
MW148.21 g/mol
LogP0.29
Rot. Bonds3

About 3-[amino(methyl)amino]propanoic acid;ethane

3-[amino(methyl)amino]propanoic acid;ethane (PubChem CID 144503936) has the molecular formula C6H16N2O2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 3-[amino(methyl)amino]propanoic acid;ethane.

Molecular Properties

Compound Name3-[amino(methyl)amino]propanoic acid;ethane
PubChem CID144503936
Molecular FormulaC6H16N2O2
Molecular Weight148.21 g/mol
Exact Mass148.12
IUPAC Name3-[amino(methyl)amino]propanoic acid;ethane
SMILESCC.CN(N)CCC(=O)O
InChIInChI=1S/C4H10N2O2.C2H6/c1-6(5)3-2-4(7)8;1-2/h2-3,5H2,1H3,(H,7,8);1-2H3
InChIKeyCLUFMUVUXCHUAW-UHFFFAOYSA-N
XLogP0.29
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[bis(2-carboxyethyl)amino]ethyl-(2-carboxyethyl)amino]propanoic acid;ethane
CID 145349461
3-[2-carboxyethyl(methyl)amino]propanoic acid;methane
CID 90204033
3-[methyl((113C)methyl)amino]propanoic acid;hydrochloride
CID 172746252
3-[amino(carboxy)amino]propanoic acid
CID 123794055
3-[2-carboxyethyl(dimethylamino)amino]propanoic acid
CID 4178172
3-[carboxymethyl(methyl)amino]propanoic acid
CID 54557646
ethane;3-[2-[ethyl(methyl)amino]ethyl-methylamino]propanoic acid
CID 143432854
3-[(3-amino-3-oxopropyl)-(2-carboxyethyl)amino]propanoic acid
CID 21115401
4-[amino(oxido)amino]butanoic acid
CID 163980196
3-[methoxy(methyl)amino]propanoic acid
CID 55208063
azane;butanedioic acid;methanol
CID 131741728
azane;butanedioic acid
CID 87070561

Frequently Asked Questions

What is the IUPAC name of 3-[amino(methyl)amino]propanoic acid;ethane?
The IUPAC name of 3-[amino(methyl)amino]propanoic acid;ethane (CID 144503936) is 3-[amino(methyl)amino]propanoic acid;ethane.
What is the SMILES notation for 3-[amino(methyl)amino]propanoic acid;ethane?
The canonical SMILES for 3-[amino(methyl)amino]propanoic acid;ethane is CC.CN(N)CCC(=O)O.
What is the InChIKey of 3-[amino(methyl)amino]propanoic acid;ethane?
The InChIKey is CLUFMUVUXCHUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2.C2H6/c1-6(5)3-2-4(7)8;1-2/h2-3,5H2,1H3,(H,7,8);1-2H3.
What are the key properties of 3-[amino(methyl)amino]propanoic acid;ethane?
3-[amino(methyl)amino]propanoic acid;ethane has a molecular weight of 148.21 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(methyl)amino]propanoic acid;ethane is sourced from PubChem (CID 144503936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).