2-[1-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]cyclohexyl]acetic acid

C16H22N2O3 — CID 2738272

IUPAC2-[1-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCc2ccncc2)CCCCC1
InChIInChI=1S/C16H22N2O3/c19-14(18-12-13-4-8-17-9-5-13)10-16(11-15(20)21)6-2-1-3-7-16/h4-5,8-9H,1-3,6-7,10-12H2,(H,18,19)(H,20,21)
InChIKeyWEPDJJVYPSJSOS-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.51
Rot. Bonds6

About 2-[1-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]cyclohexyl]acetic acid

2-[1-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]cyclohexyl]acetic acid (PubChem CID 2738272) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]cyclohexyl]acetic acid
PubChem CID2738272
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[1-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCc2ccncc2)CCCCC1
InChIInChI=1S/C16H22N2O3/c19-14(18-12-13-4-8-17-9-5-13)10-16(11-15(20)21)6-2-1-3-7-16/h4-5,8-9H,1-3,6-7,10-12H2,(H,18,19)(H,20,21)
InChIKeyWEPDJJVYPSJSOS-UHFFFAOYSA-N
XLogP2.51
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]cyclohexyl]acetic acid (CID 2738272) is 2-[1-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]cyclohexyl]acetic acid is O=C(O)CC1(CC(=O)NCc2ccncc2)CCCCC1.
What is the InChIKey of 2-[1-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]cyclohexyl]acetic acid?
The InChIKey is WEPDJJVYPSJSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-14(18-12-13-4-8-17-9-5-13)10-16(11-15(20)21)6-2-1-3-7-16/h4-5,8-9H,1-3,6-7,10-12H2,(H,18,19)(H,20,21).
What are the key properties of 2-[1-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]cyclohexyl]acetic acid?
2-[1-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]cyclohexyl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 2738272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).