2-[1-[2-(benzylamino)-2-oxoethyl]cyclohexyl]acetic acid

C17H23NO3 — CID 2738273

IUPAC2-[1-[2-(benzylamino)-2-oxoethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCc2ccccc2)CCCCC1
InChIInChI=1S/C17H23NO3/c19-15(18-13-14-7-3-1-4-8-14)11-17(12-16(20)21)9-5-2-6-10-17/h1,3-4,7-8H,2,5-6,9-13H2,(H,18,19)(H,20,21)
InChIKeyUYUHJUJGYSGXEN-UHFFFAOYSA-N
MW289.37 g/mol
LogP3.12
Rot. Bonds6

About 2-[1-[2-(benzylamino)-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-(benzylamino)-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 2738273) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-[1-[2-(benzylamino)-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(benzylamino)-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID2738273
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name2-[1-[2-(benzylamino)-2-oxoethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCc2ccccc2)CCCCC1
InChIInChI=1S/C17H23NO3/c19-15(18-13-14-7-3-1-4-8-14)11-17(12-16(20)21)9-5-2-6-10-17/h1,3-4,7-8H,2,5-6,9-13H2,(H,18,19)(H,20,21)
InChIKeyUYUHJUJGYSGXEN-UHFFFAOYSA-N
XLogP3.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(benzylamino)-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-(benzylamino)-2-oxoethyl]cyclohexyl]acetic acid (CID 2738273) is 2-[1-[2-(benzylamino)-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(benzylamino)-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-(benzylamino)-2-oxoethyl]cyclohexyl]acetic acid is O=C(O)CC1(CC(=O)NCc2ccccc2)CCCCC1.
What is the InChIKey of 2-[1-[2-(benzylamino)-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is UYUHJUJGYSGXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-15(18-13-14-7-3-1-4-8-14)11-17(12-16(20)21)9-5-2-6-10-17/h1,3-4,7-8H,2,5-6,9-13H2,(H,18,19)(H,20,21).
What are the key properties of 2-[1-[2-(benzylamino)-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-(benzylamino)-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 289.37 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(benzylamino)-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 2738273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).