2-(2-acetamidopropanoylamino)-2-cyclohexylacetic acid

C13H22N2O4 — CID 54902194

IUPAC2-(2-acetamidopropanoylamino)-2-cyclohexylacetic acid
SMILESCC(=O)NC(C)C(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C13H22N2O4/c1-8(14-9(2)16)12(17)15-11(13(18)19)10-6-4-3-5-7-10/h8,10-11H,3-7H2,1-2H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyJEJMOEMQYGSXCP-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.66
Rot. Bonds5

About 2-(2-acetamidopropanoylamino)-2-cyclohexylacetic acid

2-(2-acetamidopropanoylamino)-2-cyclohexylacetic acid (PubChem CID 54902194) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(2-acetamidopropanoylamino)-2-cyclohexylacetic acid.

Molecular Properties

Compound Name2-(2-acetamidopropanoylamino)-2-cyclohexylacetic acid
PubChem CID54902194
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-(2-acetamidopropanoylamino)-2-cyclohexylacetic acid
SMILESCC(=O)NC(C)C(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C13H22N2O4/c1-8(14-9(2)16)12(17)15-11(13(18)19)10-6-4-3-5-7-10/h8,10-11H,3-7H2,1-2H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyJEJMOEMQYGSXCP-UHFFFAOYSA-N
XLogP0.66
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidopropanoylamino)-2-cyclohexylacetic acid?
The IUPAC name of 2-(2-acetamidopropanoylamino)-2-cyclohexylacetic acid (CID 54902194) is 2-(2-acetamidopropanoylamino)-2-cyclohexylacetic acid.
What is the SMILES notation for 2-(2-acetamidopropanoylamino)-2-cyclohexylacetic acid?
The canonical SMILES for 2-(2-acetamidopropanoylamino)-2-cyclohexylacetic acid is CC(=O)NC(C)C(=O)NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-(2-acetamidopropanoylamino)-2-cyclohexylacetic acid?
The InChIKey is JEJMOEMQYGSXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-8(14-9(2)16)12(17)15-11(13(18)19)10-6-4-3-5-7-10/h8,10-11H,3-7H2,1-2H3,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 2-(2-acetamidopropanoylamino)-2-cyclohexylacetic acid?
2-(2-acetamidopropanoylamino)-2-cyclohexylacetic acid has a molecular weight of 270.33 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidopropanoylamino)-2-cyclohexylacetic acid is sourced from PubChem (CID 54902194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).