2,2-dimethyl-6-morpholin-4-ylhexanoic acid

C12H23NO3 — CID 106713869

IUPAC2,2-dimethyl-6-morpholin-4-ylhexanoic acid
SMILESCC(C)(CCCCN1CCOCC1)C(=O)O
InChIInChI=1S/C12H23NO3/c1-12(2,11(14)15)5-3-4-6-13-7-9-16-10-8-13/h3-10H2,1-2H3,(H,14,15)
InChIKeyGGGAPYHQFWZMAG-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.60
Rot. Bonds6

About 2,2-dimethyl-6-morpholin-4-ylhexanoic acid

2,2-dimethyl-6-morpholin-4-ylhexanoic acid (PubChem CID 106713869) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2,2-dimethyl-6-morpholin-4-ylhexanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-6-morpholin-4-ylhexanoic acid
PubChem CID106713869
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2,2-dimethyl-6-morpholin-4-ylhexanoic acid
SMILESCC(C)(CCCCN1CCOCC1)C(=O)O
InChIInChI=1S/C12H23NO3/c1-12(2,11(14)15)5-3-4-6-13-7-9-16-10-8-13/h3-10H2,1-2H3,(H,14,15)
InChIKeyGGGAPYHQFWZMAG-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-5-morpholin-4-ylpentanoic acid
CID 65254938
2,2-dimethyl-6-piperidin-1-ylhexanoic acid
CID 106713861
6-(4,4-dimethylpiperidin-1-yl)-2,2-dimethylhexanoic acid
CID 106714030
2-methyl-2-(methylamino)-6-(1,4-oxazepan-4-yl)hexanoic acid
CID 62972427
5-(2-ethylmorpholin-4-yl)-2,2-dimethylpentanoic acid
CID 65254891
2,2-dimethyl-5-(4-methylsulfonylpiperazin-1-yl)pentanoic acid
CID 65254899
2-methyl-2-(3-morpholin-4-ylpropylamino)butanoic acid
CID 114994322
2,2-dimethyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
CID 65248073
(2S)-2-(2,2-dimethylpropanoylamino)-2-ethyl-4-morpholin-4-ylbutanoic acid
CID 122454832
5-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpentanoic acid
CID 79183884
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
2-methyl-4-morpholin-4-ylbutan-2-ol
CID 79316740

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-morpholin-4-ylhexanoic acid?
The IUPAC name of 2,2-dimethyl-6-morpholin-4-ylhexanoic acid (CID 106713869) is 2,2-dimethyl-6-morpholin-4-ylhexanoic acid.
What is the SMILES notation for 2,2-dimethyl-6-morpholin-4-ylhexanoic acid?
The canonical SMILES for 2,2-dimethyl-6-morpholin-4-ylhexanoic acid is CC(C)(CCCCN1CCOCC1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-6-morpholin-4-ylhexanoic acid?
The InChIKey is GGGAPYHQFWZMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2,11(14)15)5-3-4-6-13-7-9-16-10-8-13/h3-10H2,1-2H3,(H,14,15).
What are the key properties of 2,2-dimethyl-6-morpholin-4-ylhexanoic acid?
2,2-dimethyl-6-morpholin-4-ylhexanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-morpholin-4-ylhexanoic acid is sourced from PubChem (CID 106713869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).