2-[6-hydroxyhexyl(2-methylpropyl)amino]acetic acid

C12H25NO3 — CID 107704554

IUPAC2-[6-hydroxyhexyl(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CCCCCCO)CC(=O)O
InChIInChI=1S/C12H25NO3/c1-11(2)9-13(10-12(15)16)7-5-3-4-6-8-14/h11,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyAJICNPADCFLNJQ-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.58
Rot. Bonds10

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

2-[6-hydroxyhexyl(2-methylpropyl)amino]acetic acid (PubChem CID 107704554) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[6-hydroxyhexyl(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[6-hydroxyhexyl(2-methylpropyl)amino]acetic acid
PubChem CID107704554
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name2-[6-hydroxyhexyl(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CCCCCCO)CC(=O)O
InChIInChI=1S/C12H25NO3/c1-11(2)9-13(10-12(15)16)7-5-3-4-6-8-14/h11,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyAJICNPADCFLNJQ-UHFFFAOYSA-N
XLogP1.58
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.58
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

2-[5-hydroxypentyl(propyl)amino]acetic acid
CID 62228100
2-[4-hydroxybutyl(2-hydroxyethyl)amino]acetic acid
CID 138080551
4-[ethyl(2-methylpropyl)amino]butan-1-ol
CID 43509665
2-[6-hydroxyhexyl(propan-2-yl)amino]acetic acid
CID 107704478
3-[3-hydroxypropyl(2-methylpropyl)amino]-2-methylpropanoic acid
CID 82330162
2-[ethyl(2-methylpropyl)amino]acetic acid
CID 43273893
2-[2-methylpropyl-[4-(oxan-4-yl)butyl]amino]acetic acid
CID 114191542
2-[6-hydroxyhexyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 107704620
2-[but-3-ynyl(2-methylpropyl)amino]acetic acid
CID 63065219
2-[2-methylpropyl(3,3,3-trifluoropropyl)amino]acetic acid
CID 64566123
2-[2-methylpropyl(3-phenoxypropyl)amino]acetic acid
CID 63064164
3-[carboxymethyl(pentyl)amino]-2-methylpropanoic acid
CID 82328302

Frequently Asked Questions

What is the IUPAC name of 2-[6-hydroxyhexyl(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[6-hydroxyhexyl(2-methylpropyl)amino]acetic acid (CID 107704554) is 2-[6-hydroxyhexyl(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[6-hydroxyhexyl(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[6-hydroxyhexyl(2-methylpropyl)amino]acetic acid is CC(C)CN(CCCCCCO)CC(=O)O.
What is the InChIKey of 2-[6-hydroxyhexyl(2-methylpropyl)amino]acetic acid?
The InChIKey is AJICNPADCFLNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-11(2)9-13(10-12(15)16)7-5-3-4-6-8-14/h11,14H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 2-[6-hydroxyhexyl(2-methylpropyl)amino]acetic acid?
2-[6-hydroxyhexyl(2-methylpropyl)amino]acetic acid has a molecular weight of 231.34 g/mol, XLogP of 1.58, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-hydroxyhexyl(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 107704554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).