2-[1-[methyl(oxane-3-carbonyl)amino]cyclohexyl]acetic acid

C15H25NO4 — CID 65237889

IUPAC2-[1-[methyl(oxane-3-carbonyl)amino]cyclohexyl]acetic acid
SMILESCN(C(=O)C1CCCOC1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H25NO4/c1-16(14(19)12-6-5-9-20-11-12)15(10-13(17)18)7-3-2-4-8-15/h12H,2-11H2,1H3,(H,17,18)
InChIKeyBAFBGRRXHOCJRG-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.05
Rot. Bonds4

About 2-[1-[methyl(oxane-3-carbonyl)amino]cyclohexyl]acetic acid

2-[1-[methyl(oxane-3-carbonyl)amino]cyclohexyl]acetic acid (PubChem CID 65237889) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[1-[methyl(oxane-3-carbonyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl(oxane-3-carbonyl)amino]cyclohexyl]acetic acid
PubChem CID65237889
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-[1-[methyl(oxane-3-carbonyl)amino]cyclohexyl]acetic acid
SMILESCN(C(=O)C1CCCOC1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H25NO4/c1-16(14(19)12-6-5-9-20-11-12)15(10-13(17)18)7-3-2-4-8-15/h12H,2-11H2,1H3,(H,17,18)
InChIKeyBAFBGRRXHOCJRG-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 2-[1-[methyl(oxane-3-carbonyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[methyl(oxane-3-carbonyl)amino]cyclohexyl]acetic acid (CID 65237889) is 2-[1-[methyl(oxane-3-carbonyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[methyl(oxane-3-carbonyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[methyl(oxane-3-carbonyl)amino]cyclohexyl]acetic acid is CN(C(=O)C1CCCOC1)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[methyl(oxane-3-carbonyl)amino]cyclohexyl]acetic acid?
The InChIKey is BAFBGRRXHOCJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-16(14(19)12-6-5-9-20-11-12)15(10-13(17)18)7-3-2-4-8-15/h12H,2-11H2,1H3,(H,17,18).
What are the key properties of 2-[1-[methyl(oxane-3-carbonyl)amino]cyclohexyl]acetic acid?
2-[1-[methyl(oxane-3-carbonyl)amino]cyclohexyl]acetic 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 2-[1-[methyl(oxane-3-carbonyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65237889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).