2-[2-aminoethyl(methyl)amino]butanoic acid

C7H16N2O2 — CID 63654075

IUPAC2-[2-aminoethyl(methyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(C)CCN
InChIInChI=1S/C7H16N2O2/c1-3-6(7(10)11)9(2)5-4-8/h6H,3-5,8H2,1-2H3,(H,10,11)
InChIKeyOLFIUUIAHYFOPZ-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.26
Rot. Bonds5

About 2-[2-aminoethyl(methyl)amino]butanoic acid

2-[2-aminoethyl(methyl)amino]butanoic acid (PubChem CID 63654075) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-[2-aminoethyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[2-aminoethyl(methyl)amino]butanoic acid
PubChem CID63654075
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name2-[2-aminoethyl(methyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(C)CCN
InChIInChI=1S/C7H16N2O2/c1-3-6(7(10)11)9(2)5-4-8/h6H,3-5,8H2,1-2H3,(H,10,11)
InChIKeyOLFIUUIAHYFOPZ-UHFFFAOYSA-N
XLogP-0.26
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-cyanoethyl(methyl)amino]butanoic acid
CID 43808967
2-[methyl(4-methylsulfanylbutyl)amino]butanoic acid
CID 103090457
(2S)-6-amino-2-[methyl(propyl)amino]hexanoic acid
CID 150390621
2-[(4-methoxy-4-oxobutyl)-methylamino]butanoic acid
CID 64661402
4-amino-2-[3-(dimethylamino)propyl-methylamino]butanoic acid
CID 64694003
2-[methyl(propyl)amino]butanamide
CID 62900463
2-[methyl(2-piperazin-1-ylethyl)amino]butanoic acid
CID 64661581
(1R)-1-[2-aminoethyl(methyl)amino]propan-1-ol;molecular hydrogen
CID 144534942
2-[methyl(propan-2-yl)amino]butanoic acid
CID 43808956
(2S)-6-amino-2-[ethyl(methyl)amino]hexanoic acid
CID 149149504
3-amino-2-[methyl(pentan-3-yl)amino]propanoic acid
CID 64695623
2-[methyl-[2-(oxolan-2-yl)ethyl]amino]butanoic acid
CID 65162256

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(methyl)amino]butanoic acid?
The IUPAC name of 2-[2-aminoethyl(methyl)amino]butanoic acid (CID 63654075) is 2-[2-aminoethyl(methyl)amino]butanoic acid.
What is the SMILES notation for 2-[2-aminoethyl(methyl)amino]butanoic acid?
The canonical SMILES for 2-[2-aminoethyl(methyl)amino]butanoic acid is CCC(C(=O)O)N(C)CCN.
What is the InChIKey of 2-[2-aminoethyl(methyl)amino]butanoic acid?
The InChIKey is OLFIUUIAHYFOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-3-6(7(10)11)9(2)5-4-8/h6H,3-5,8H2,1-2H3,(H,10,11).
What are the key properties of 2-[2-aminoethyl(methyl)amino]butanoic acid?
2-[2-aminoethyl(methyl)amino]butanoic acid has a molecular weight of 160.22 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(methyl)amino]butanoic acid is sourced from PubChem (CID 63654075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).