2-[[cyclohexylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C13H21F3N2O3 — CID 79263924

IUPAC2-[[cyclohexylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCN(CC1CCCCC1)C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C13H21F3N2O3/c1-17(7-10-5-3-2-4-6-10)12(21)18(8-11(19)20)9-13(14,15)16/h10H,2-9H2,1H3,(H,19,20)
InChIKeyHZHCQSWVWFEOKH-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.57
Rot. Bonds5

About 2-[[cyclohexylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[cyclohexylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79263924) has the molecular formula C13H21F3N2O3 and a molecular weight of 310.32 g/mol. Its IUPAC name is 2-[[cyclohexylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[cyclohexylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79263924
Molecular FormulaC13H21F3N2O3
Molecular Weight310.32 g/mol
Exact Mass310.15
IUPAC Name2-[[cyclohexylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCN(CC1CCCCC1)C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C13H21F3N2O3/c1-17(7-10-5-3-2-4-6-10)12(21)18(8-11(19)20)9-13(14,15)16/h10H,2-9H2,1H3,(H,19,20)
InChIKeyHZHCQSWVWFEOKH-UHFFFAOYSA-N
XLogP2.57
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[cyclohexylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[cyclohexylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79263924) is 2-[[cyclohexylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[cyclohexylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[cyclohexylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid is CN(CC1CCCCC1)C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[[cyclohexylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is HZHCQSWVWFEOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O3/c1-17(7-10-5-3-2-4-6-10)12(21)18(8-11(19)20)9-13(14,15)16/h10H,2-9H2,1H3,(H,19,20).
What are the key properties of 2-[[cyclohexylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[cyclohexylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 310.32 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79263924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).