4-ethyl-1-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]cyclohexane-1-carboxylic acid

C15H26N2O4 — CID 102656004

IUPAC4-ethyl-1-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)COC2(C)CNC2)(C(=O)O)CC1
InChIInChI=1S/C15H26N2O4/c1-3-11-4-6-15(7-5-11,13(19)20)17-12(18)8-21-14(2)9-16-10-14/h11,16H,3-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyIOBIBKHVLAUPKU-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.90
Rot. Bonds6

About 4-ethyl-1-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]cyclohexane-1-carboxylic acid

4-ethyl-1-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 102656004) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-ethyl-1-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID102656004
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-ethyl-1-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)COC2(C)CNC2)(C(=O)O)CC1
InChIInChI=1S/C15H26N2O4/c1-3-11-4-6-15(7-5-11,13(19)20)17-12(18)8-21-14(2)9-16-10-14/h11,16H,3-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyIOBIBKHVLAUPKU-UHFFFAOYSA-N
XLogP0.90
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-1-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43163266
4-ethyl-1-[(4-methylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63122559
4-ethyl-1-(hexanoylamino)cyclohexane-1-carboxylic acid
CID 43341491
4-ethyl-1-[3-(ethylamino)butanoylamino]cyclohexane-1-carboxylic acid
CID 62838707
4-ethyl-1-[(3-methylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63131360
2-(3-methylazetidin-3-yl)oxy-N-(1-methylcyclohexyl)acetamide
CID 102611433
4-ethyl-1-[(2-propan-2-ylsulfanylacetyl)amino]cyclohexane-1-carboxylic acid
CID 43172614
1-[[butan-2-yl(methyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
CID 61196629
N-hydroxy-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656216
4-ethyl-1-(piperidin-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61403150
1-(cyclopropylmethylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 61001600
2-(3-methylazetidin-3-yl)oxy-N-[(4-methylcyclohexyl)methyl]acetamide
CID 102656184

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]cyclohexane-1-carboxylic acid (CID 102656004) is 4-ethyl-1-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]cyclohexane-1-carboxylic acid is CCC1CCC(NC(=O)COC2(C)CNC2)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is IOBIBKHVLAUPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-11-4-6-15(7-5-11,13(19)20)17-12(18)8-21-14(2)9-16-10-14/h11,16H,3-10H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4-ethyl-1-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]cyclohexane-1-carboxylic acid?
4-ethyl-1-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 102656004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).