2-[1-[1-amino-2-oxo-2-(2-oxo-1,2-diphenylethoxy)ethyl]cyclohexyl]acetic acid

C24H27NO5 — CID 90807412

IUPAC2-[1-[1-amino-2-oxo-2-(2-oxo-1,2-diphenylethoxy)ethyl]cyclohexyl]acetic acid
SMILESNC(C(=O)OC(C(=O)c1ccccc1)c1ccccc1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C24H27NO5/c25-22(24(16-19(26)27)14-8-3-9-15-24)23(29)30-21(18-12-6-2-7-13-18)20(28)17-10-4-1-5-11-17/h1-2,4-7,10-13,21-22H,3,8-9,14-16,25H2,(H,26,27)
InChIKeyYMTKNFONBVARLB-UHFFFAOYSA-N
MW409.48 g/mol
LogP3.91
Rot. Bonds8

About 2-[1-[1-amino-2-oxo-2-(2-oxo-1,2-diphenylethoxy)ethyl]cyclohexyl]acetic acid

2-[1-[1-amino-2-oxo-2-(2-oxo-1,2-diphenylethoxy)ethyl]cyclohexyl]acetic acid (PubChem CID 90807412) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is 2-[1-[1-amino-2-oxo-2-(2-oxo-1,2-diphenylethoxy)ethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-amino-2-oxo-2-(2-oxo-1,2-diphenylethoxy)ethyl]cyclohexyl]acetic acid
PubChem CID90807412
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Name2-[1-[1-amino-2-oxo-2-(2-oxo-1,2-diphenylethoxy)ethyl]cyclohexyl]acetic acid
SMILESNC(C(=O)OC(C(=O)c1ccccc1)c1ccccc1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C24H27NO5/c25-22(24(16-19(26)27)14-8-3-9-15-24)23(29)30-21(18-12-6-2-7-13-18)20(28)17-10-4-1-5-11-17/h1-2,4-7,10-13,21-22H,3,8-9,14-16,25H2,(H,26,27)
InChIKeyYMTKNFONBVARLB-UHFFFAOYSA-N
XLogP3.91
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-amino-2-oxo-2-(2-oxo-1,2-diphenylethoxy)ethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[1-amino-2-oxo-2-(2-oxo-1,2-diphenylethoxy)ethyl]cyclohexyl]acetic acid (CID 90807412) is 2-[1-[1-amino-2-oxo-2-(2-oxo-1,2-diphenylethoxy)ethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[1-amino-2-oxo-2-(2-oxo-1,2-diphenylethoxy)ethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[1-amino-2-oxo-2-(2-oxo-1,2-diphenylethoxy)ethyl]cyclohexyl]acetic acid is NC(C(=O)OC(C(=O)c1ccccc1)c1ccccc1)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[1-amino-2-oxo-2-(2-oxo-1,2-diphenylethoxy)ethyl]cyclohexyl]acetic acid?
The InChIKey is YMTKNFONBVARLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5/c25-22(24(16-19(26)27)14-8-3-9-15-24)23(29)30-21(18-12-6-2-7-13-18)20(28)17-10-4-1-5-11-17/h1-2,4-7,10-13,21-22H,3,8-9,14-16,25H2,(H,26,27).
What are the key properties of 2-[1-[1-amino-2-oxo-2-(2-oxo-1,2-diphenylethoxy)ethyl]cyclohexyl]acetic acid?
2-[1-[1-amino-2-oxo-2-(2-oxo-1,2-diphenylethoxy)ethyl]cyclohexyl]acetic acid has a molecular weight of 409.48 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-amino-2-oxo-2-(2-oxo-1,2-diphenylethoxy)ethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 90807412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).