5-(2,3-dihydro-1,4-dioxine-5-carbonylamino)hexanoic acid

C11H17NO5 — CID 82854747

IUPAC5-(2,3-dihydro-1,4-dioxine-5-carbonylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)C1=COCCO1
InChIInChI=1S/C11H17NO5/c1-8(3-2-4-10(13)14)12-11(15)9-7-16-5-6-17-9/h7-8H,2-6H2,1H3,(H,12,15)(H,13,14)
InChIKeyHKPOWEGZFGGTBS-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.63
Rot. Bonds6

About 5-(2,3-dihydro-1,4-dioxine-5-carbonylamino)hexanoic acid

5-(2,3-dihydro-1,4-dioxine-5-carbonylamino)hexanoic acid (PubChem CID 82854747) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-dioxine-5-carbonylamino)hexanoic acid.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-dioxine-5-carbonylamino)hexanoic acid
PubChem CID82854747
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name5-(2,3-dihydro-1,4-dioxine-5-carbonylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)C1=COCCO1
InChIInChI=1S/C11H17NO5/c1-8(3-2-4-10(13)14)12-11(15)9-7-16-5-6-17-9/h7-8H,2-6H2,1H3,(H,12,15)(H,13,14)
InChIKeyHKPOWEGZFGGTBS-UHFFFAOYSA-N
XLogP0.63
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[(2,3-dihydro-1,4-dioxine-5-carbonylamino)methyl]-5-methylhexanoic acid
CID 65493277
4-(3,4-dihydro-2H-pyran-5-carbonylamino)pentanoic acid
CID 115923971
4-amino-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-4-oxobutanoic acid
CID 43211167
5-(2,3-dihydro-1-benzofuran-5-carbonylamino)hexanoic acid
CID 82854914
N-[2-methyl-3-(methylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 115302597
N-[1-(2-bromophenyl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 17403886
5-[(2,3-dichlorobenzoyl)amino]hexanoic acid
CID 82854179
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 7395510
5-[(2,6-difluorobenzoyl)amino]hexanoic acid
CID 82854153
5-[(2-fluorobenzoyl)amino]hexanoic acid
CID 82855274
5-[(3-bromo-2-chlorobenzoyl)amino]hexanoic acid
CID 113402887
5-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid
CID 82855211

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-dioxine-5-carbonylamino)hexanoic acid?
The IUPAC name of 5-(2,3-dihydro-1,4-dioxine-5-carbonylamino)hexanoic acid (CID 82854747) is 5-(2,3-dihydro-1,4-dioxine-5-carbonylamino)hexanoic acid.
What is the SMILES notation for 5-(2,3-dihydro-1,4-dioxine-5-carbonylamino)hexanoic acid?
The canonical SMILES for 5-(2,3-dihydro-1,4-dioxine-5-carbonylamino)hexanoic acid is CC(CCCC(=O)O)NC(=O)C1=COCCO1.
What is the InChIKey of 5-(2,3-dihydro-1,4-dioxine-5-carbonylamino)hexanoic acid?
The InChIKey is HKPOWEGZFGGTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-8(3-2-4-10(13)14)12-11(15)9-7-16-5-6-17-9/h7-8H,2-6H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 5-(2,3-dihydro-1,4-dioxine-5-carbonylamino)hexanoic acid?
5-(2,3-dihydro-1,4-dioxine-5-carbonylamino)hexanoic acid has a molecular weight of 243.26 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-dioxine-5-carbonylamino)hexanoic acid is sourced from PubChem (CID 82854747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).