2-amino-6-(oxan-2-yloxy)hexanoic acid

C11H21NO4 — CID 146471509

IUPAC2-amino-6-(oxan-2-yloxy)hexanoic acid
SMILESNC(CCCCOC1CCCCO1)C(=O)O
InChIInChI=1S/C11H21NO4/c12-9(11(13)14)5-1-3-7-15-10-6-2-4-8-16-10/h9-10H,1-8,12H2,(H,13,14)
InChIKeyFHHRTEGFKUCTRL-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.11
Rot. Bonds7

About 2-amino-6-(oxan-2-yloxy)hexanoic acid

2-amino-6-(oxan-2-yloxy)hexanoic acid (PubChem CID 146471509) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-amino-6-(oxan-2-yloxy)hexanoic acid.

Molecular Properties

Compound Name2-amino-6-(oxan-2-yloxy)hexanoic acid
PubChem CID146471509
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-amino-6-(oxan-2-yloxy)hexanoic acid
SMILESNC(CCCCOC1CCCCO1)C(=O)O
InChIInChI=1S/C11H21NO4/c12-9(11(13)14)5-1-3-7-15-10-6-2-4-8-16-10/h9-10H,1-8,12H2,(H,13,14)
InChIKeyFHHRTEGFKUCTRL-UHFFFAOYSA-N
XLogP1.11
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(oxan-2-yloxy)butyl]propanediamide
CID 67822555
2-[4-(oxan-2-yloxy)butyl]decanoic acid
CID 177221724
14-(oxan-2-yloxy)tetradecanoic acid
CID 54500619
2-(6-methylheptoxy)oxane
CID 139685112
[1-hydroxy-13-(oxan-2-yloxy)tridecan-3-yl] hydrogen carbonate
CID 118168910
(2S)-2-amino-3-[(3R)-3-(oxan-2-yloxy)butoxy]propanoic acid
CID 154928929
(2S)-2-amino-5-(1,3-dioxan-2-yl)pentanoic acid
CID 10856576
N,N'-bis(2-aminoethyl)-2-[6-(oxan-2-yloxy)hexyl]propanediamide
CID 59422079
benzyl (2S)-2-amino-4-(oxan-2-yloxy)butanoate
CID 70956918
(2S)-2-amino-5-(oxolan-2-yl)pentanoic acid
CID 106702722
(3S)-8-(oxan-2-yloxy)octane-1,3-diol
CID 11831727
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(oxan-2-yloxy)hexanoic acid?
The IUPAC name of 2-amino-6-(oxan-2-yloxy)hexanoic acid (CID 146471509) is 2-amino-6-(oxan-2-yloxy)hexanoic acid.
What is the SMILES notation for 2-amino-6-(oxan-2-yloxy)hexanoic acid?
The canonical SMILES for 2-amino-6-(oxan-2-yloxy)hexanoic acid is NC(CCCCOC1CCCCO1)C(=O)O.
What is the InChIKey of 2-amino-6-(oxan-2-yloxy)hexanoic acid?
The InChIKey is FHHRTEGFKUCTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c12-9(11(13)14)5-1-3-7-15-10-6-2-4-8-16-10/h9-10H,1-8,12H2,(H,13,14).
What are the key properties of 2-amino-6-(oxan-2-yloxy)hexanoic acid?
2-amino-6-(oxan-2-yloxy)hexanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(oxan-2-yloxy)hexanoic acid is sourced from PubChem (CID 146471509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).