1-[2-[methyl(oxan-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid

C15H25NO4 — CID 43610796

IUPAC1-[2-[methyl(oxan-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)CC1(C(=O)O)CCCCC1)C1CCOCC1
InChIInChI=1S/C15H25NO4/c1-16(12-5-9-20-10-6-12)13(17)11-15(14(18)19)7-3-2-4-8-15/h12H,2-11H2,1H3,(H,18,19)
InChIKeyALCYNJXGOXIOSV-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.05
Rot. Bonds4

About 1-[2-[methyl(oxan-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid

1-[2-[methyl(oxan-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid (PubChem CID 43610796) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[2-[methyl(oxan-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[methyl(oxan-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
PubChem CID43610796
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name1-[2-[methyl(oxan-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)CC1(C(=O)O)CCCCC1)C1CCOCC1
InChIInChI=1S/C15H25NO4/c1-16(12-5-9-20-10-6-12)13(17)11-15(14(18)19)7-3-2-4-8-15/h12H,2-11H2,1H3,(H,18,19)
InChIKeyALCYNJXGOXIOSV-UHFFFAOYSA-N
XLogP2.05
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(oxan-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-[methyl(oxan-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid (CID 43610796) is 1-[2-[methyl(oxan-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[methyl(oxan-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-[methyl(oxan-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid is CN(C(=O)CC1(C(=O)O)CCCCC1)C1CCOCC1.
What is the InChIKey of 1-[2-[methyl(oxan-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The InChIKey is ALCYNJXGOXIOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-16(12-5-9-20-10-6-12)13(17)11-15(14(18)19)7-3-2-4-8-15/h12H,2-11H2,1H3,(H,18,19).
What are the key properties of 1-[2-[methyl(oxan-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
1-[2-[methyl(oxan-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(oxan-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43610796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).