3-[3-hydroxypropyl(2-methylpropyl)amino]-2-methylpropanoic acid

C11H23NO3 — CID 82330162

IUPAC3-[3-hydroxypropyl(2-methylpropyl)amino]-2-methylpropanoic acid
SMILESCC(C)CN(CCCO)CC(C)C(=O)O
InChIInChI=1S/C11H23NO3/c1-9(2)7-12(5-4-6-13)8-10(3)11(14)15/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyZQEBXCAANLDTNX-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.05
Rot. Bonds8

About 3-[3-hydroxypropyl(2-methylpropyl)amino]-2-methylpropanoic acid

3-[3-hydroxypropyl(2-methylpropyl)amino]-2-methylpropanoic acid (PubChem CID 82330162) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-[3-hydroxypropyl(2-methylpropyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[3-hydroxypropyl(2-methylpropyl)amino]-2-methylpropanoic acid
PubChem CID82330162
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name3-[3-hydroxypropyl(2-methylpropyl)amino]-2-methylpropanoic acid
SMILESCC(C)CN(CCCO)CC(C)C(=O)O
InChIInChI=1S/C11H23NO3/c1-9(2)7-12(5-4-6-13)8-10(3)11(14)15/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyZQEBXCAANLDTNX-UHFFFAOYSA-N
XLogP1.05
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-hydroxypropyl(3-hydroxypropyl)amino]-2-methylpropanoic acid
CID 82330163
3-[3-(diethylamino)propyl-(2-methylpropyl)amino]-2-methylpropanoic acid
CID 82329011
3-[cyanomethyl(3-hydroxypropyl)amino]-2-methylpropanoic acid
CID 82328543
3-[2-acetamidoethyl(3-hydroxypropyl)amino]-2-methylpropanoic acid
CID 82330169
3-[2-(dimethylamino)ethyl-[3-(dimethylamino)propyl]amino]-2-methylpropanoic acid
CID 82330442
2-[6-hydroxyhexyl(2-methylpropyl)amino]acetic acid
CID 107704554
3-[3-hydroxypropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid
CID 82323660
3-[heptyl(hexyl)amino]-2-methylpropanoic acid
CID 82328811
3-[3-acetamidopropyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82329659
2-methyl-3-[2-methylpropyl(2-phenylethyl)amino]propanoic acid
CID 82328998
3-[2-carboxyethyl(3-carboxypropyl)amino]-2-methylpropanoic acid
CID 82330638
3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 55007333

Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxypropyl(2-methylpropyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[3-hydroxypropyl(2-methylpropyl)amino]-2-methylpropanoic acid (CID 82330162) is 3-[3-hydroxypropyl(2-methylpropyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[3-hydroxypropyl(2-methylpropyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[3-hydroxypropyl(2-methylpropyl)amino]-2-methylpropanoic acid is CC(C)CN(CCCO)CC(C)C(=O)O.
What is the InChIKey of 3-[3-hydroxypropyl(2-methylpropyl)amino]-2-methylpropanoic acid?
The InChIKey is ZQEBXCAANLDTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-9(2)7-12(5-4-6-13)8-10(3)11(14)15/h9-10,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 3-[3-hydroxypropyl(2-methylpropyl)amino]-2-methylpropanoic acid?
3-[3-hydroxypropyl(2-methylpropyl)amino]-2-methylpropanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxypropyl(2-methylpropyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82330162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).