2-[4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid

C17H20FNO4 — CID 119215271

IUPAC2-[4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid
SMILESO=C(O)CC1(NC(=O)C2CC2c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C17H20FNO4/c18-12-3-1-11(2-4-12)13-9-14(13)16(22)19-17(10-15(20)21)5-7-23-8-6-17/h1-4,13-14H,5-10H2,(H,19,22)(H,20,21)
InChIKeyPVSWSDJDMGMVAL-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.07
Rot. Bonds5

About 2-[4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid

2-[4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid (PubChem CID 119215271) has the molecular formula C17H20FNO4 and a molecular weight of 321.35 g/mol. Its IUPAC name is 2-[4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid
PubChem CID119215271
Molecular FormulaC17H20FNO4
Molecular Weight321.35 g/mol
Exact Mass321.14
IUPAC Name2-[4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid
SMILESO=C(O)CC1(NC(=O)C2CC2c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C17H20FNO4/c18-12-3-1-11(2-4-12)13-9-14(13)16(22)19-17(10-15(20)21)5-7-23-8-6-17/h1-4,13-14H,5-10H2,(H,19,22)(H,20,21)
InChIKeyPVSWSDJDMGMVAL-UHFFFAOYSA-N
XLogP2.07
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid (CID 119215271) is 2-[4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid is O=C(O)CC1(NC(=O)C2CC2c2ccc(F)cc2)CCOCC1.
What is the InChIKey of 2-[4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid?
The InChIKey is PVSWSDJDMGMVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO4/c18-12-3-1-11(2-4-12)13-9-14(13)16(22)19-17(10-15(20)21)5-7-23-8-6-17/h1-4,13-14H,5-10H2,(H,19,22)(H,20,21).
What are the key properties of 2-[4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid?
2-[4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid has a molecular weight of 321.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid is sourced from PubChem (CID 119215271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).