2-cyclooctyl-2-[(3-methyl-1,2-oxazole-4-carbonyl)amino]acetic acid

C15H22N2O4 — CID 137363195

IUPAC2-cyclooctyl-2-[(3-methyl-1,2-oxazole-4-carbonyl)amino]acetic acid
SMILESCc1nocc1C(=O)NC(C(=O)O)C1CCCCCCC1
InChIInChI=1S/C15H22N2O4/c1-10-12(9-21-17-10)14(18)16-13(15(19)20)11-7-5-3-2-4-6-8-11/h9,11,13H,2-8H2,1H3,(H,16,18)(H,19,20)
InChIKeyOPTYHFGUTZBJAJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.53
Rot. Bonds4

About 2-cyclooctyl-2-[(3-methyl-1,2-oxazole-4-carbonyl)amino]acetic acid

2-cyclooctyl-2-[(3-methyl-1,2-oxazole-4-carbonyl)amino]acetic acid (PubChem CID 137363195) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-cyclooctyl-2-[(3-methyl-1,2-oxazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclooctyl-2-[(3-methyl-1,2-oxazole-4-carbonyl)amino]acetic acid
PubChem CID137363195
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-cyclooctyl-2-[(3-methyl-1,2-oxazole-4-carbonyl)amino]acetic acid
SMILESCc1nocc1C(=O)NC(C(=O)O)C1CCCCCCC1
InChIInChI=1S/C15H22N2O4/c1-10-12(9-21-17-10)14(18)16-13(15(19)20)11-7-5-3-2-4-6-8-11/h9,11,13H,2-8H2,1H3,(H,16,18)(H,19,20)
InChIKeyOPTYHFGUTZBJAJ-UHFFFAOYSA-N
XLogP2.53
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclooctyl-2-[(3-methyl-1,2-oxazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclooctyl-2-[(3-methyl-1,2-oxazole-4-carbonyl)amino]acetic acid (CID 137363195) is 2-cyclooctyl-2-[(3-methyl-1,2-oxazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclooctyl-2-[(3-methyl-1,2-oxazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclooctyl-2-[(3-methyl-1,2-oxazole-4-carbonyl)amino]acetic acid is Cc1nocc1C(=O)NC(C(=O)O)C1CCCCCCC1.
What is the InChIKey of 2-cyclooctyl-2-[(3-methyl-1,2-oxazole-4-carbonyl)amino]acetic acid?
The InChIKey is OPTYHFGUTZBJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10-12(9-21-17-10)14(18)16-13(15(19)20)11-7-5-3-2-4-6-8-11/h9,11,13H,2-8H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-cyclooctyl-2-[(3-methyl-1,2-oxazole-4-carbonyl)amino]acetic acid?
2-cyclooctyl-2-[(3-methyl-1,2-oxazole-4-carbonyl)amino]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooctyl-2-[(3-methyl-1,2-oxazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 137363195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).