7-[(2R)-2-[4-(1-hydroxycyclobutyl)phenyl]-4-oxoazetidin-1-yl]heptanoic acid

C20H27NO4 — CID 59207916

IUPAC7-[(2R)-2-[4-(1-hydroxycyclobutyl)phenyl]-4-oxoazetidin-1-yl]heptanoic acid
SMILESO=C(O)CCCCCCN1C(=O)C[C@@H]1c1ccc(C2(O)CCC2)cc1
InChIInChI=1S/C20H27NO4/c22-18-14-17(21(18)13-4-2-1-3-6-19(23)24)15-7-9-16(10-8-15)20(25)11-5-12-20/h7-10,17,25H,1-6,11-14H2,(H,23,24)/t17-/m1/s1
InChIKeyLUWDGULKSZCORH-QGZVFWFLSA-N
MW345.44 g/mol
LogP3.37
Rot. Bonds9

About 7-[(2R)-2-[4-(1-hydroxycyclobutyl)phenyl]-4-oxoazetidin-1-yl]heptanoic acid

7-[(2R)-2-[4-(1-hydroxycyclobutyl)phenyl]-4-oxoazetidin-1-yl]heptanoic acid (PubChem CID 59207916) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is 7-[(2R)-2-[4-(1-hydroxycyclobutyl)phenyl]-4-oxoazetidin-1-yl]heptanoic acid.

Molecular Properties

Compound Name7-[(2R)-2-[4-(1-hydroxycyclobutyl)phenyl]-4-oxoazetidin-1-yl]heptanoic acid
PubChem CID59207916
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC Name7-[(2R)-2-[4-(1-hydroxycyclobutyl)phenyl]-4-oxoazetidin-1-yl]heptanoic acid
SMILESO=C(O)CCCCCCN1C(=O)C[C@@H]1c1ccc(C2(O)CCC2)cc1
InChIInChI=1S/C20H27NO4/c22-18-14-17(21(18)13-4-2-1-3-6-19(23)24)15-7-9-16(10-8-15)20(25)11-5-12-20/h7-10,17,25H,1-6,11-14H2,(H,23,24)/t17-/m1/s1
InChIKeyLUWDGULKSZCORH-QGZVFWFLSA-N
XLogP3.37
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-2-[4-(1-hydroxycyclobutyl)phenyl]-4-oxoazetidin-1-yl]heptanoic acid?
The IUPAC name of 7-[(2R)-2-[4-(1-hydroxycyclobutyl)phenyl]-4-oxoazetidin-1-yl]heptanoic acid (CID 59207916) is 7-[(2R)-2-[4-(1-hydroxycyclobutyl)phenyl]-4-oxoazetidin-1-yl]heptanoic acid.
What is the SMILES notation for 7-[(2R)-2-[4-(1-hydroxycyclobutyl)phenyl]-4-oxoazetidin-1-yl]heptanoic acid?
The canonical SMILES for 7-[(2R)-2-[4-(1-hydroxycyclobutyl)phenyl]-4-oxoazetidin-1-yl]heptanoic acid is O=C(O)CCCCCCN1C(=O)C[C@@H]1c1ccc(C2(O)CCC2)cc1.
What is the InChIKey of 7-[(2R)-2-[4-(1-hydroxycyclobutyl)phenyl]-4-oxoazetidin-1-yl]heptanoic acid?
The InChIKey is LUWDGULKSZCORH-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H27NO4/c22-18-14-17(21(18)13-4-2-1-3-6-19(23)24)15-7-9-16(10-8-15)20(25)11-5-12-20/h7-10,17,25H,1-6,11-14H2,(H,23,24)/t17-/m1/s1.
What are the key properties of 7-[(2R)-2-[4-(1-hydroxycyclobutyl)phenyl]-4-oxoazetidin-1-yl]heptanoic acid?
7-[(2R)-2-[4-(1-hydroxycyclobutyl)phenyl]-4-oxoazetidin-1-yl]heptanoic acid has a molecular weight of 345.44 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-2-[4-(1-hydroxycyclobutyl)phenyl]-4-oxoazetidin-1-yl]heptanoic acid is sourced from PubChem (CID 59207916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).