2-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]ethoxy]acetic acid

C12H18F3NO5 — CID 61329033

IUPAC2-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]ethoxy]acetic acid
SMILESO=C(O)COCC(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C12H18F3NO5/c13-12(14,15)7-21-9-3-1-2-8(4-9)16-10(17)5-20-6-11(18)19/h8-9H,1-7H2,(H,16,17)(H,18,19)
InChIKeyIPMARVUXTVUQKY-UHFFFAOYSA-N
MW313.27 g/mol
LogP1.09
Rot. Bonds7

About 2-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]ethoxy]acetic acid

2-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]ethoxy]acetic acid (PubChem CID 61329033) has the molecular formula C12H18F3NO5 and a molecular weight of 313.27 g/mol. Its IUPAC name is 2-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]ethoxy]acetic acid
PubChem CID61329033
Molecular FormulaC12H18F3NO5
Molecular Weight313.27 g/mol
Exact Mass313.11
IUPAC Name2-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]ethoxy]acetic acid
SMILESO=C(O)COCC(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C12H18F3NO5/c13-12(14,15)7-21-9-3-1-2-8(4-9)16-10(17)5-20-6-11(18)19/h8-9H,1-7H2,(H,16,17)(H,18,19)
InChIKeyIPMARVUXTVUQKY-UHFFFAOYSA-N
XLogP1.09
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-{[(1R,2R)-2-acetamidocyclohexyl]oxy}aceticacid
CID 15049039
2-(2-aminoethoxy)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
CID 79474078
2-methoxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 112686174
2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
CID 115593381
2-{[4-(2,2,2-Trifluoroacetamido)cyclohexyl]oxy}acetic acid
CID 165912885
2-{[(1S,2S)-2-(2,2,2-trifluoroacetamido)cyclohexyl]oxy}acetic acid
CID 167737621
2-{[(1S,2S)-2-acetamidocyclohexyl]oxy}aceticacid
CID 57205317
2-[2-Oxo-2-[1-(oxolan-2-yl)ethylamino]ethoxy]acetic acid
CID 61328606
2-[2-[(3-Hydroxycyclohexyl)amino]-2-oxoethoxy]acetic acid
CID 61329813
2-[2-(7-Oxabicyclo[2.2.1]heptan-2-ylamino)-2-oxoethoxy]acetic acid
CID 80717636
N-(3-hydroxycyclohexyl)-2-(2-methoxyethoxy)acetamide
CID 103722197
2-{[(Octahydro-1,4-benzodioxin-6-yl)carbamoyl]methoxy}acetic acid
CID 165477168

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]ethoxy]acetic acid (CID 61329033) is 2-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]ethoxy]acetic acid is O=C(O)COCC(=O)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 2-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]ethoxy]acetic acid?
The InChIKey is IPMARVUXTVUQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO5/c13-12(14,15)7-21-9-3-1-2-8(4-9)16-10(17)5-20-6-11(18)19/h8-9H,1-7H2,(H,16,17)(H,18,19).
What are the key properties of 2-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]ethoxy]acetic acid?
2-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]ethoxy]acetic acid has a molecular weight of 313.27 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 61329033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).