2-[6-hydroxyhexyl(propan-2-yl)amino]acetic acid

C11H23NO3 — CID 107704478

IUPAC2-[6-hydroxyhexyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(CCCCCCO)CC(=O)O
InChIInChI=1S/C11H23NO3/c1-10(2)12(9-11(14)15)7-5-3-4-6-8-13/h10,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyUSQYBXFSFIWPQG-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.33
Rot. Bonds9

About 2-[6-hydroxyhexyl(propan-2-yl)amino]acetic acid

2-[6-hydroxyhexyl(propan-2-yl)amino]acetic acid (PubChem CID 107704478) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[6-hydroxyhexyl(propan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[6-hydroxyhexyl(propan-2-yl)amino]acetic acid
PubChem CID107704478
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-[6-hydroxyhexyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(CCCCCCO)CC(=O)O
InChIInChI=1S/C11H23NO3/c1-10(2)12(9-11(14)15)7-5-3-4-6-8-13/h10,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyUSQYBXFSFIWPQG-UHFFFAOYSA-N
XLogP1.33
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[5-hydroxypentyl(propan-2-yl)amino]acetate
CID 62227556
7-[3-hydroxypropyl(propan-2-yl)amino]heptan-1-ol
CID 178129959
2-[6-hydroxyhexyl(2-methylpropyl)amino]acetic acid
CID 107704554
2-[5-hydroxypentyl(propyl)amino]acetic acid
CID 62228100
5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 62228231
3-[8-methylnonyl(propan-2-yl)amino]propan-1-ol
CID 175071947
2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methylpropyl)acetamide
CID 62022001
4-[octyl(propan-2-yl)amino]butanoic acid
CID 60833622
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propan-2-ylamino]acetic acid
CID 104564781
2-[4-hydroxybutyl(2-hydroxyethyl)amino]acetic acid
CID 138080551
2-[2-formamidoethyl(propan-2-yl)amino]acetic acid
CID 118297525
2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propan-2-ylamino]acetic acid
CID 112590569

Frequently Asked Questions

What is the IUPAC name of 2-[6-hydroxyhexyl(propan-2-yl)amino]acetic acid?
The IUPAC name of 2-[6-hydroxyhexyl(propan-2-yl)amino]acetic acid (CID 107704478) is 2-[6-hydroxyhexyl(propan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[6-hydroxyhexyl(propan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[6-hydroxyhexyl(propan-2-yl)amino]acetic acid is CC(C)N(CCCCCCO)CC(=O)O.
What is the InChIKey of 2-[6-hydroxyhexyl(propan-2-yl)amino]acetic acid?
The InChIKey is USQYBXFSFIWPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-10(2)12(9-11(14)15)7-5-3-4-6-8-13/h10,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-[6-hydroxyhexyl(propan-2-yl)amino]acetic acid?
2-[6-hydroxyhexyl(propan-2-yl)amino]acetic acid has a molecular weight of 217.31 g/mol, XLogP of 1.33, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-hydroxyhexyl(propan-2-yl)amino]acetic acid is sourced from PubChem (CID 107704478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).