5-[[(1R,2R)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

C21H20FNO3 — CID 167860514

IUPAC5-[[(1R,2R)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCCC2NC(=O)[C@@H]1C[C@H]1c1ccccc1F
InChIInChI=1S/C21H20FNO3/c22-18-6-2-1-5-15(18)16-11-17(16)20(24)23-19-7-3-4-12-10-13(21(25)26)8-9-14(12)19/h1-2,5-6,8-10,16-17,19H,3-4,7,11H2,(H,23,24)(H,25,26)/t16-,17+,19?/m0/s1
InChIKeyBFUWYFHUUWHLFM-PZEDNMLSSA-N
MW353.39 g/mol
LogP3.82
Rot. Bonds4

About 5-[[(1R,2R)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

5-[[(1R,2R)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 167860514) has the molecular formula C21H20FNO3 and a molecular weight of 353.39 g/mol. Its IUPAC name is 5-[[(1R,2R)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(1R,2R)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
PubChem CID167860514
Molecular FormulaC21H20FNO3
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC Name5-[[(1R,2R)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCCC2NC(=O)[C@@H]1C[C@H]1c1ccccc1F
InChIInChI=1S/C21H20FNO3/c22-18-6-2-1-5-15(18)16-11-17(16)20(24)23-19-7-3-4-12-10-13(21(25)26)8-9-14(12)19/h1-2,5-6,8-10,16-17,19H,3-4,7,11H2,(H,23,24)(H,25,26)/t16-,17+,19?/m0/s1
InChIKeyBFUWYFHUUWHLFM-PZEDNMLSSA-N
XLogP3.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[[(1R,2R)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic 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 5-[[(1R,2R)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 5-[[(1R,2R)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (CID 167860514) is 5-[[(1R,2R)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 5-[[(1R,2R)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 5-[[(1R,2R)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is O=C(O)c1ccc2c(c1)CCCC2NC(=O)[C@@H]1C[C@H]1c1ccccc1F.
What is the InChIKey of 5-[[(1R,2R)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is BFUWYFHUUWHLFM-PZEDNMLSSA-N. The full InChI is InChI=1S/C21H20FNO3/c22-18-6-2-1-5-15(18)16-11-17(16)20(24)23-19-7-3-4-12-10-13(21(25)26)8-9-14(12)19/h1-2,5-6,8-10,16-17,19H,3-4,7,11H2,(H,23,24)(H,25,26)/t16-,17+,19?/m0/s1.
What are the key properties of 5-[[(1R,2R)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
5-[[(1R,2R)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 353.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R,2R)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 167860514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).