2-[[4-(4-fluorophenyl)cyclohexyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

C19H26FNO4 — CID 21090451

IUPAC2-[[4-(4-fluorophenyl)cyclohexyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)N(CC(=O)O)C1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H26FNO4/c1-19(2,3)25-18(24)21(12-17(22)23)16-10-6-14(7-11-16)13-4-8-15(20)9-5-13/h4-5,8-9,14,16H,6-7,10-12H2,1-3H3,(H,22,23)
InChIKeyZICDIWFLDJBKHU-UHFFFAOYSA-N
MW351.42 g/mol
LogP4.17
Rot. Bonds4

About 2-[[4-(4-fluorophenyl)cyclohexyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

2-[[4-(4-fluorophenyl)cyclohexyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (PubChem CID 21090451) has the molecular formula C19H26FNO4 and a molecular weight of 351.42 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)cyclohexyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)cyclohexyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
PubChem CID21090451
Molecular FormulaC19H26FNO4
Molecular Weight351.42 g/mol
Exact Mass351.18
IUPAC Name2-[[4-(4-fluorophenyl)cyclohexyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)N(CC(=O)O)C1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H26FNO4/c1-19(2,3)25-18(24)21(12-17(22)23)16-10-6-14(7-11-16)13-4-8-15(20)9-5-13/h4-5,8-9,14,16H,6-7,10-12H2,1-3H3,(H,22,23)
InChIKeyZICDIWFLDJBKHU-UHFFFAOYSA-N
XLogP4.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)cyclohexyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The IUPAC name of 2-[[4-(4-fluorophenyl)cyclohexyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (CID 21090451) is 2-[[4-(4-fluorophenyl)cyclohexyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)cyclohexyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The canonical SMILES for 2-[[4-(4-fluorophenyl)cyclohexyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is CC(C)(C)OC(=O)N(CC(=O)O)C1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)cyclohexyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The InChIKey is ZICDIWFLDJBKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO4/c1-19(2,3)25-18(24)21(12-17(22)23)16-10-6-14(7-11-16)13-4-8-15(20)9-5-13/h4-5,8-9,14,16H,6-7,10-12H2,1-3H3,(H,22,23).
What are the key properties of 2-[[4-(4-fluorophenyl)cyclohexyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
2-[[4-(4-fluorophenyl)cyclohexyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid has a molecular weight of 351.42 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)cyclohexyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is sourced from PubChem (CID 21090451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).