cis-methyl (1R,2S)-2-[[2-(2-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate

C16H20FNO3 — CID 97028755

IUPACcis-methyl (1R,2S)-2-[[2-(2-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccccc1F
InChIInChI=1S/C16H20FNO3/c1-21-16(20)12-7-3-5-9-14(12)18-15(19)10-11-6-2-4-8-13(11)17/h2,4,6,8,12,14H,3,5,7,9-10H2,1H3,(H,18,19)/t12-,14+/m1/s1
InChIKeyIPCVKZTVHCBQQY-OCCSQVGLSA-N
MW293.34 g/mol
LogP2.22
Rot. Bonds4

About cis-methyl (1R,2S)-2-[[2-(2-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate

cis-methyl (1R,2S)-2-[[2-(2-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate (PubChem CID 97028755) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is cis-methyl (1R,2S)-2-[[2-(2-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,2S)-2-[[2-(2-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate
PubChem CID97028755
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Namecis-methyl (1R,2S)-2-[[2-(2-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccccc1F
InChIInChI=1S/C16H20FNO3/c1-21-16(20)12-7-3-5-9-14(12)18-15(19)10-11-6-2-4-8-13(11)17/h2,4,6,8,12,14H,3,5,7,9-10H2,1H3,(H,18,19)/t12-,14+/m1/s1
InChIKeyIPCVKZTVHCBQQY-OCCSQVGLSA-N
XLogP2.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-methyl (1R,2S)-2-[[2-(2-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate 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 cis-methyl (1R,2S)-2-[[2-(2-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of cis-methyl (1R,2S)-2-[[2-(2-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate (CID 97028755) is cis-methyl (1R,2S)-2-[[2-(2-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,2S)-2-[[2-(2-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,2S)-2-[[2-(2-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate is COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccccc1F.
What is the InChIKey of cis-methyl (1R,2S)-2-[[2-(2-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate?
The InChIKey is IPCVKZTVHCBQQY-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-21-16(20)12-7-3-5-9-14(12)18-15(19)10-11-6-2-4-8-13(11)17/h2,4,6,8,12,14H,3,5,7,9-10H2,1H3,(H,18,19)/t12-,14+/m1/s1.
What are the key properties of cis-methyl (1R,2S)-2-[[2-(2-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate?
cis-methyl (1R,2S)-2-[[2-(2-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate has a molecular weight of 293.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,2S)-2-[[2-(2-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 97028755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).