2-methoxy-3-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid

C12H18F3NO4 — CID 106107725

IUPAC2-methoxy-3-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid
SMILESCOC(CNC(=O)C1CCC(C(F)(F)F)CC1)C(=O)O
InChIInChI=1S/C12H18F3NO4/c1-20-9(11(18)19)6-16-10(17)7-2-4-8(5-3-7)12(13,14)15/h7-9H,2-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyZHVZJYGDTOMOTH-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.57
Rot. Bonds5

About 2-methoxy-3-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid

2-methoxy-3-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid (PubChem CID 106107725) has the molecular formula C12H18F3NO4 and a molecular weight of 297.27 g/mol. Its IUPAC name is 2-methoxy-3-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid
PubChem CID106107725
Molecular FormulaC12H18F3NO4
Molecular Weight297.27 g/mol
Exact Mass297.12
IUPAC Name2-methoxy-3-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid
SMILESCOC(CNC(=O)C1CCC(C(F)(F)F)CC1)C(=O)O
InChIInChI=1S/C12H18F3NO4/c1-20-9(11(18)19)6-16-10(17)7-2-4-8(5-3-7)12(13,14)15/h7-9H,2-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyZHVZJYGDTOMOTH-UHFFFAOYSA-N
XLogP1.57
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-3-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

methyl (2S)-3-[(4-ethylcyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoate
CID 129359117
4-(4,4-Difluorocyclohexanecarbonyl)morpholine-2-carboxylic acid
CID 81930217
2-[2-[(4,4-Difluorocyclohexanecarbonyl)amino]ethoxy]acetic acid
CID 81930410
3-[(4,4-Difluorocyclohexanecarbonyl)amino]-2-hydroxypropanoic acid
CID 81930450
3-[(4,4-Difluorocyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 81930451
4-[4-(Trifluoromethyl)cyclohexanecarbonyl]morpholine-2-carboxylic acid
CID 81930765
2-[2-[[3-(Trifluoromethyl)cyclohexanecarbonyl]amino]ethoxy]acetic acid
CID 81930767
2-[2-[[4-(Trifluoromethyl)cyclohexanecarbonyl]amino]ethoxy]acetic acid
CID 81930844
2-Hydroxy-3-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid
CID 81931063
2-Hydroxy-3-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid
CID 81931087
2-Hydroxy-2-methyl-3-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid
CID 81931109
2-Hydroxy-2-methyl-3-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid
CID 81931138

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid?
The IUPAC name of 2-methoxy-3-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid (CID 106107725) is 2-methoxy-3-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid is COC(CNC(=O)C1CCC(C(F)(F)F)CC1)C(=O)O.
What is the InChIKey of 2-methoxy-3-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid?
The InChIKey is ZHVZJYGDTOMOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO4/c1-20-9(11(18)19)6-16-10(17)7-2-4-8(5-3-7)12(13,14)15/h7-9H,2-6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-methoxy-3-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid?
2-methoxy-3-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid has a molecular weight of 297.27 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid is sourced from PubChem (CID 106107725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).