2-[2-cyclohexylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

C13H21F3N2O3 — CID 79263691

IUPAC2-[2-cyclohexylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)NCCC1CCCCC1
InChIInChI=1S/C13H21F3N2O3/c14-13(15,16)9-18(8-11(19)20)12(21)17-7-6-10-4-2-1-3-5-10/h10H,1-9H2,(H,17,21)(H,19,20)
InChIKeyQCVIKMQQTIISPE-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.62
Rot. Bonds6

About 2-[2-cyclohexylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[2-cyclohexylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79263691) has the molecular formula C13H21F3N2O3 and a molecular weight of 310.32 g/mol. Its IUPAC name is 2-[2-cyclohexylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-cyclohexylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79263691
Molecular FormulaC13H21F3N2O3
Molecular Weight310.32 g/mol
Exact Mass310.15
IUPAC Name2-[2-cyclohexylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)NCCC1CCCCC1
InChIInChI=1S/C13H21F3N2O3/c14-13(15,16)9-18(8-11(19)20)12(21)17-7-6-10-4-2-1-3-5-10/h10H,1-9H2,(H,17,21)(H,19,20)
InChIKeyQCVIKMQQTIISPE-UHFFFAOYSA-N
XLogP2.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258875
2-[oxan-2-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266128
2-[2,2,2-trifluoroethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
CID 79266783
2-[pentylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258372
2-[oxolan-3-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265902
2-[carboxymethyl(cyclopentylmethylcarbamoyl)amino]acetic acid
CID 55246133
2-[2-ethoxyethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265881
2-[3-(ethylamino)propylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265962
2-[2-(2-methoxyethoxy)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266737
2-[2-(dimethylsulfamoyl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 106341305
2-[1-cyclopropylbutan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266742
2-[(2-methoxy-2-oxoethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258950

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclohexylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[2-cyclohexylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79263691) is 2-[2-cyclohexylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-cyclohexylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[2-cyclohexylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)NCCC1CCCCC1.
What is the InChIKey of 2-[2-cyclohexylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is QCVIKMQQTIISPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O3/c14-13(15,16)9-18(8-11(19)20)12(21)17-7-6-10-4-2-1-3-5-10/h10H,1-9H2,(H,17,21)(H,19,20).
What are the key properties of 2-[2-cyclohexylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[2-cyclohexylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 310.32 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclohexylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79263691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).