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

C14H23NO4 — CID 65242964

IUPAC2-[1-[methyl(oxolane-3-carbonyl)amino]cyclohexyl]acetic acid
SMILESCN(C(=O)C1CCOC1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H23NO4/c1-15(13(18)11-5-8-19-10-11)14(9-12(16)17)6-3-2-4-7-14/h11H,2-10H2,1H3,(H,16,17)
InChIKeyJYQBAPWSQYTJCD-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.66
Rot. Bonds4

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

2-[1-[methyl(oxolane-3-carbonyl)amino]cyclohexyl]acetic acid (PubChem CID 65242964) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[1-[methyl(oxolane-3-carbonyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl(oxolane-3-carbonyl)amino]cyclohexyl]acetic acid
PubChem CID65242964
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-[1-[methyl(oxolane-3-carbonyl)amino]cyclohexyl]acetic acid
SMILESCN(C(=O)C1CCOC1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H23NO4/c1-15(13(18)11-5-8-19-10-11)14(9-12(16)17)6-3-2-4-7-14/h11H,2-10H2,1H3,(H,16,17)
InChIKeyJYQBAPWSQYTJCD-UHFFFAOYSA-N
XLogP1.66
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl(oxolane-3-carbonyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[methyl(oxolane-3-carbonyl)amino]cyclohexyl]acetic acid (CID 65242964) is 2-[1-[methyl(oxolane-3-carbonyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[methyl(oxolane-3-carbonyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[methyl(oxolane-3-carbonyl)amino]cyclohexyl]acetic acid is CN(C(=O)C1CCOC1)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[methyl(oxolane-3-carbonyl)amino]cyclohexyl]acetic acid?
The InChIKey is JYQBAPWSQYTJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-15(13(18)11-5-8-19-10-11)14(9-12(16)17)6-3-2-4-7-14/h11H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-[1-[methyl(oxolane-3-carbonyl)amino]cyclohexyl]acetic acid?
2-[1-[methyl(oxolane-3-carbonyl)amino]cyclohexyl]acetic acid has a molecular weight of 269.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl(oxolane-3-carbonyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65242964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).