3-[[2-[butyl(methyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]propanoic acid

C13H26N2O4 — CID 82327127

IUPAC3-[[2-[butyl(methyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]propanoic acid
SMILESCCCCN(C)C(=O)CN(CCC(=O)O)CC(C)O
InChIInChI=1S/C13H26N2O4/c1-4-5-7-14(3)12(17)10-15(9-11(2)16)8-6-13(18)19/h11,16H,4-10H2,1-3H3,(H,18,19)
InChIKeyYZVXEJVIBIFHDD-UHFFFAOYSA-N
MW274.36 g/mol
LogP0.40
Rot. Bonds10

About 3-[[2-[butyl(methyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]propanoic acid

3-[[2-[butyl(methyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]propanoic acid (PubChem CID 82327127) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-[[2-[butyl(methyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-[butyl(methyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]propanoic acid
PubChem CID82327127
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name3-[[2-[butyl(methyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]propanoic acid
SMILESCCCCN(C)C(=O)CN(CCC(=O)O)CC(C)O
InChIInChI=1S/C13H26N2O4/c1-4-5-7-14(3)12(17)10-15(9-11(2)16)8-6-13(18)19/h11,16H,4-10H2,1-3H3,(H,18,19)
InChIKeyYZVXEJVIBIFHDD-UHFFFAOYSA-N
XLogP0.40
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[butyl(methyl)amino]-6-oxohexanoic acid
CID 43447178
3-[2-hydroxypropyl(2-methylpropyl)amino]propanoic acid
CID 82328936
CID 88685642
CID 88685642
4-[heptanoyl(methyl)amino]butanoic acid
CID 43172442
sodium 3-[methyl(tetradecanoyl)amino]propanoic acid
CID 22614079
10-[methyl(pentyl)amino]-10-oxodecanoic acid
CID 143390074
N-[2-[[2-[butyl(methyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methyl-2-[methyl(2-methylpropyl)amino]acetamide
CID 166678673
3-[bis(2-hydroxydecyl)amino]propanoic acid
CID 164829125
N-(5-hydroxyhexyl)-N-methyloctanamide
CID 143646438
lithium N-[2-[2-carboxyethyl(2-hydroxypropyl)amino]ethyl]octanimidate
CID 101286122
3-[2-methylpropyl(pentanoyl)amino]propanoic acid
CID 82323488
1-[bis(1-hydroxyethyl)amino]ethanol;2-[methyl(tetradecanoyl)amino]acetic acid
CID 170168150

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[butyl(methyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]propanoic acid?
The IUPAC name of 3-[[2-[butyl(methyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]propanoic acid (CID 82327127) is 3-[[2-[butyl(methyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]propanoic acid.
What is the SMILES notation for 3-[[2-[butyl(methyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]propanoic acid?
The canonical SMILES for 3-[[2-[butyl(methyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]propanoic acid is CCCCN(C)C(=O)CN(CCC(=O)O)CC(C)O.
What is the InChIKey of 3-[[2-[butyl(methyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]propanoic acid?
The InChIKey is YZVXEJVIBIFHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-4-5-7-14(3)12(17)10-15(9-11(2)16)8-6-13(18)19/h11,16H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 3-[[2-[butyl(methyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]propanoic acid?
3-[[2-[butyl(methyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]propanoic acid has a molecular weight of 274.36 g/mol, XLogP of 0.40, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[butyl(methyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]propanoic acid is sourced from PubChem (CID 82327127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).