2-(oxan-2-ylmethylamino)hexanoic acid

C12H23NO3 — CID 103243520

IUPAC2-(oxan-2-ylmethylamino)hexanoic acid
SMILESCCCCC(NCC1CCCCO1)C(=O)O
InChIInChI=1S/C12H23NO3/c1-2-3-7-11(12(14)15)13-9-10-6-4-5-8-16-10/h10-11,13H,2-9H2,1H3,(H,14,15)
InChIKeyFSTAPYYYCFDYTG-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.79
Rot. Bonds7

About 2-(oxan-2-ylmethylamino)hexanoic acid

2-(oxan-2-ylmethylamino)hexanoic acid (PubChem CID 103243520) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(oxan-2-ylmethylamino)hexanoic acid.

Molecular Properties

Compound Name2-(oxan-2-ylmethylamino)hexanoic acid
PubChem CID103243520
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-(oxan-2-ylmethylamino)hexanoic acid
SMILESCCCCC(NCC1CCCCO1)C(=O)O
InChIInChI=1S/C12H23NO3/c1-2-3-7-11(12(14)15)13-9-10-6-4-5-8-16-10/h10-11,13H,2-9H2,1H3,(H,14,15)
InChIKeyFSTAPYYYCFDYTG-UHFFFAOYSA-N
XLogP1.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid
CID 30030430
2-(oxolan-2-ylmethylamino)heptanamide
CID 61006217
N-(oxan-2-ylmethyl)heptan-3-amine
CID 63946719
2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]pentanoic acid
CID 43631760
2-(2-cyclohexylethylamino)hexanoic acid
CID 103240091
2-[(1-methylpyrrolidin-2-yl)methylamino]hexanoic acid
CID 106020216
2-bromo-N-(oxolan-2-ylmethyl)hexanamide
CID 110839202
2-(oxan-2-ylmethylamino)-N-pentan-3-ylpropanamide
CID 55014476
2-[(oxan-2-ylmethylcarbamoylamino)methyl]pentanoic acid
CID 65222628
N'-hydroxy-2-(oxan-2-ylmethylamino)butanimidamide
CID 77030636
(2R)-N-[[(2S)-oxolan-2-yl]methyl]octan-2-amine
CID 28879278
2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 61191777

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylmethylamino)hexanoic acid?
The IUPAC name of 2-(oxan-2-ylmethylamino)hexanoic acid (CID 103243520) is 2-(oxan-2-ylmethylamino)hexanoic acid.
What is the SMILES notation for 2-(oxan-2-ylmethylamino)hexanoic acid?
The canonical SMILES for 2-(oxan-2-ylmethylamino)hexanoic acid is CCCCC(NCC1CCCCO1)C(=O)O.
What is the InChIKey of 2-(oxan-2-ylmethylamino)hexanoic acid?
The InChIKey is FSTAPYYYCFDYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-2-3-7-11(12(14)15)13-9-10-6-4-5-8-16-10/h10-11,13H,2-9H2,1H3,(H,14,15).
What are the key properties of 2-(oxan-2-ylmethylamino)hexanoic acid?
2-(oxan-2-ylmethylamino)hexanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethylamino)hexanoic acid is sourced from PubChem (CID 103243520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).