2-[1-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]cyclohexyl]acetic acid

C14H21NO5 — CID 131940441

IUPAC2-[1-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]cyclohexyl]acetic acid
SMILESCC1=C(C(=O)NC2(CC(=O)O)CCCCC2)OCCO1
InChIInChI=1S/C14H21NO5/c1-10-12(20-8-7-19-10)13(18)15-14(9-11(16)17)5-3-2-4-6-14/h2-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyLBGOCRWANBZFRU-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.56
Rot. Bonds4

About 2-[1-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]cyclohexyl]acetic acid

2-[1-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]cyclohexyl]acetic acid (PubChem CID 131940441) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-[1-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]cyclohexyl]acetic acid
PubChem CID131940441
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2-[1-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]cyclohexyl]acetic acid
SMILESCC1=C(C(=O)NC2(CC(=O)O)CCCCC2)OCCO1
InChIInChI=1S/C14H21NO5/c1-10-12(20-8-7-19-10)13(18)15-14(9-11(16)17)5-3-2-4-6-14/h2-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyLBGOCRWANBZFRU-UHFFFAOYSA-N
XLogP1.56
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]cyclohexyl]acetic acid with MolForge

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Related Compounds

2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671347
2-[1-[(2,4,5-trimethylfuran-3-carbonyl)amino]cyclopentyl]acetic acid
CID 64672770
2-[1-[(2-methylfuran-3-carbonyl)amino]cyclohexyl]acetic acid
CID 64671935
2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671366
2-[1-[(3-methylpyridine-2-carbonyl)amino]cyclopentyl]acetic acid
CID 64671017
2-[1-[(3-amino-4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64686291
2-[1-(1,2-oxazole-3-carbonylamino)cyclohexyl]acetic acid
CID 64672317
2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid
CID 65241615
2-[1-[(5-bromofuran-3-carbonyl)amino]cyclohexyl]acetic acid
CID 75513389
2-[1-[(4-ethylbenzoyl)amino]cyclopentyl]acetic acid
CID 64673374
2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid
CID 64701206
2-[1-[[2-(methylamino)acetyl]amino]cyclohexyl]acetic acid
CID 64684909

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]cyclohexyl]acetic acid (CID 131940441) is 2-[1-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]cyclohexyl]acetic acid is CC1=C(C(=O)NC2(CC(=O)O)CCCCC2)OCCO1.
What is the InChIKey of 2-[1-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]cyclohexyl]acetic acid?
The InChIKey is LBGOCRWANBZFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-10-12(20-8-7-19-10)13(18)15-14(9-11(16)17)5-3-2-4-6-14/h2-9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-[1-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]cyclohexyl]acetic acid?
2-[1-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]cyclohexyl]acetic acid has a molecular weight of 283.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 131940441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).