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

C16H27NO3 — CID 43235048

IUPAC2-[1-[2-(cyclohexylamino)-2-oxoethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NC2CCCCC2)CCCCC1
InChIInChI=1S/C16H27NO3/c18-14(17-13-7-3-1-4-8-13)11-16(12-15(19)20)9-5-2-6-10-16/h13H,1-12H2,(H,17,18)(H,19,20)
InChIKeyXZEWAPQGTHPIHJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.25
Rot. Bonds5

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

2-[1-[2-(cyclohexylamino)-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 43235048) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[1-[2-(cyclohexylamino)-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(cyclohexylamino)-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID43235048
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-[1-[2-(cyclohexylamino)-2-oxoethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NC2CCCCC2)CCCCC1
InChIInChI=1S/C16H27NO3/c18-14(17-13-7-3-1-4-8-13)11-16(12-15(19)20)9-5-2-6-10-16/h13H,1-12H2,(H,17,18)(H,19,20)
InChIKeyXZEWAPQGTHPIHJ-UHFFFAOYSA-N
XLogP3.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(cyclohexylamino)-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-(cyclohexylamino)-2-oxoethyl]cyclohexyl]acetic acid (CID 43235048) is 2-[1-[2-(cyclohexylamino)-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(cyclohexylamino)-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-(cyclohexylamino)-2-oxoethyl]cyclohexyl]acetic acid is O=C(O)CC1(CC(=O)NC2CCCCC2)CCCCC1.
What is the InChIKey of 2-[1-[2-(cyclohexylamino)-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is XZEWAPQGTHPIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c18-14(17-13-7-3-1-4-8-13)11-16(12-15(19)20)9-5-2-6-10-16/h13H,1-12H2,(H,17,18)(H,19,20).
What are the key properties of 2-[1-[2-(cyclohexylamino)-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-(cyclohexylamino)-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 281.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(cyclohexylamino)-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 43235048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).