2-amino-3,3,3-trifluoro-2-(4-methylcyclohexyl)propanoic acid

C10H16F3NO2 — CID 64774277

IUPAC2-amino-3,3,3-trifluoro-2-(4-methylcyclohexyl)propanoic acid
SMILESCC1CCC(C(N)(C(=O)O)C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c1-6-2-4-7(5-3-6)9(14,8(15)16)10(11,12)13/h6-7H,2-5,14H2,1H3,(H,15,16)
InChIKeyZYQSISRAKYLSJA-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.16
Rot. Bonds2

About 2-amino-3,3,3-trifluoro-2-(4-methylcyclohexyl)propanoic acid

2-amino-3,3,3-trifluoro-2-(4-methylcyclohexyl)propanoic acid (PubChem CID 64774277) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-(4-methylcyclohexyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-(4-methylcyclohexyl)propanoic acid
PubChem CID64774277
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name2-amino-3,3,3-trifluoro-2-(4-methylcyclohexyl)propanoic acid
SMILESCC1CCC(C(N)(C(=O)O)C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c1-6-2-4-7(5-3-6)9(14,8(15)16)10(11,12)13/h6-7H,2-5,14H2,1H3,(H,15,16)
InChIKeyZYQSISRAKYLSJA-UHFFFAOYSA-N
XLogP2.16
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-3,3,3-trifluoro-2-(4-methylcyclohexyl)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

2-amino-2-cyclopropyl-3,3-dimethylbutanoic acid
CID 83695508
2-amino-2-cyclopentyl-3-fluoro-3-methylbutanoic acid
CID 105455425
2-aminoacetic acid;1-methyl-4-(trifluoromethyl)cyclohexane
CID 164530893
1-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-4-methylcyclohexane
CID 20583760
1-methyl-4-[1,2,2,2-tetrafluoro-1-(4-methylcyclohexyl)ethyl]cyclohexane
CID 140689381
3-aminoprop-1-en-2-ol;1-methyl-4-(trifluoromethyl)cyclohexane
CID 164530936
1,4-dimethylcyclohexane;1-methyl-4-(trifluoromethyl)cyclohexane
CID 90867997
[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]cyclohexyl]oxycyclohexyl]-(4-methylcyclohexyl)methanone
CID 140502494
ethyl 2-amino-2-cyclobutyl-3,3,3-trifluoropropanoate;hydrochloride
CID 122163980
carbamic acid;methylcyclopropane;hydrochloride
CID 175193332
2-methyl-2-[4-(trifluoromethyl)cyclohexyl]propanoic acid
CID 84736757
2-amino-2-cyclohexyl-2-fluoroacetic acid
CID 176668442

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-(4-methylcyclohexyl)propanoic acid?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-(4-methylcyclohexyl)propanoic acid (CID 64774277) is 2-amino-3,3,3-trifluoro-2-(4-methylcyclohexyl)propanoic acid.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-(4-methylcyclohexyl)propanoic acid?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-(4-methylcyclohexyl)propanoic acid is CC1CCC(C(N)(C(=O)O)C(F)(F)F)CC1.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-(4-methylcyclohexyl)propanoic acid?
The InChIKey is ZYQSISRAKYLSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-6-2-4-7(5-3-6)9(14,8(15)16)10(11,12)13/h6-7H,2-5,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-3,3,3-trifluoro-2-(4-methylcyclohexyl)propanoic acid?
2-amino-3,3,3-trifluoro-2-(4-methylcyclohexyl)propanoic acid has a molecular weight of 239.24 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-(4-methylcyclohexyl)propanoic acid is sourced from PubChem (CID 64774277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).