1-[[2-(2H-pyran-6-carbonylamino)acetyl]amino]cyclohexane-1-carboxylic acid

C15H20N2O5 — CID 143504580

IUPAC1-[[2-(2H-pyran-6-carbonylamino)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(CNC(=O)C1=CC=CCO1)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H20N2O5/c18-12(10-16-13(19)11-6-2-5-9-22-11)17-15(14(20)21)7-3-1-4-8-15/h2,5-6H,1,3-4,7-10H2,(H,16,19)(H,17,18)(H,20,21)
InChIKeyBVEURAOKLYWPRI-UHFFFAOYSA-N
MW308.33 g/mol
LogP0.48
Rot. Bonds5

About 1-[[2-(2H-pyran-6-carbonylamino)acetyl]amino]cyclohexane-1-carboxylic acid

1-[[2-(2H-pyran-6-carbonylamino)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 143504580) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is 1-[[2-(2H-pyran-6-carbonylamino)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(2H-pyran-6-carbonylamino)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID143504580
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name1-[[2-(2H-pyran-6-carbonylamino)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(CNC(=O)C1=CC=CCO1)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H20N2O5/c18-12(10-16-13(19)11-6-2-5-9-22-11)17-15(14(20)21)7-3-1-4-8-15/h2,5-6H,1,3-4,7-10H2,(H,16,19)(H,17,18)(H,20,21)
InChIKeyBVEURAOKLYWPRI-UHFFFAOYSA-N
XLogP0.48
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2H-pyran-6-carbonylamino)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-(2H-pyran-6-carbonylamino)acetyl]amino]cyclohexane-1-carboxylic acid (CID 143504580) is 1-[[2-(2H-pyran-6-carbonylamino)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(2H-pyran-6-carbonylamino)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(2H-pyran-6-carbonylamino)acetyl]amino]cyclohexane-1-carboxylic acid is O=C(CNC(=O)C1=CC=CCO1)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[2-(2H-pyran-6-carbonylamino)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is BVEURAOKLYWPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c18-12(10-16-13(19)11-6-2-5-9-22-11)17-15(14(20)21)7-3-1-4-8-15/h2,5-6H,1,3-4,7-10H2,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of 1-[[2-(2H-pyran-6-carbonylamino)acetyl]amino]cyclohexane-1-carboxylic acid?
1-[[2-(2H-pyran-6-carbonylamino)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 308.33 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2H-pyran-6-carbonylamino)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 143504580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).