(Z)-7-[(2R)-2-[4-(1-hydroxycyclobutyl)phenyl]-4-oxoazetidin-1-yl]hept-5-enoic acid

C20H25NO4 — CID 11963067

IUPAC(Z)-7-[(2R)-2-[4-(1-hydroxycyclobutyl)phenyl]-4-oxoazetidin-1-yl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C\CN1C(=O)C[C@@H]1c1ccc(C2(O)CCC2)cc1
InChIInChI=1S/C20H25NO4/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/h2,4,7-10,17,25H,1,3,5-6,11-14H2,(H,23,24)/b4-2-/t17-/m1/s1
InChIKeyUJQFXVMPGCXYIE-POKLJVKSSA-N
MW343.42 g/mol
LogP3.14
Rot. Bonds8

About (Z)-7-[(2R)-2-[4-(1-hydroxycyclobutyl)phenyl]-4-oxoazetidin-1-yl]hept-5-enoic acid

(Z)-7-[(2R)-2-[4-(1-hydroxycyclobutyl)phenyl]-4-oxoazetidin-1-yl]hept-5-enoic acid (PubChem CID 11963067) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is (Z)-7-[(2R)-2-[4-(1-hydroxycyclobutyl)phenyl]-4-oxoazetidin-1-yl]hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-[(2R)-2-[4-(1-hydroxycyclobutyl)phenyl]-4-oxoazetidin-1-yl]hept-5-enoic acid
PubChem CID11963067
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name(Z)-7-[(2R)-2-[4-(1-hydroxycyclobutyl)phenyl]-4-oxoazetidin-1-yl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C\CN1C(=O)C[C@@H]1c1ccc(C2(O)CCC2)cc1
InChIInChI=1S/C20H25NO4/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/h2,4,7-10,17,25H,1,3,5-6,11-14H2,(H,23,24)/b4-2-/t17-/m1/s1
InChIKeyUJQFXVMPGCXYIE-POKLJVKSSA-N
XLogP3.14
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-7-[(1R,2S,3R,5S)-5-chloro-3-hydroxy-2-[4-(1-hydroxycyclobutyl)phenyl]cyclopentyl]hept-5-enoic acid
CID 69351662
7-[(2R)-2-(4-tert-butylphenyl)-4-oxoazetidin-1-yl]heptanoic acid
CID 59207913
7-[2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]hept-5-enoic acid
CID 71386748
(4R)-1-hex-2-enyl-4-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]azetidin-2-one
CID 146899089
(4R)-4-[4-[cyclopentyl(hydroxy)methyl]phenyl]-1-hex-2-enylazetidin-2-one;yttrium
CID 162301301
7-[(2R)-2-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)-4-oxoazetidin-1-yl]heptanoic acid
CID 11963068
(Z)-7-(1,3-dioxoisoindol-2-yl)hept-5-enoic acid
CID 67946768
7-[(2R)-2-[4-(2-fluorophenyl)-3-hydroxybut-1-enyl]-6-oxopiperidin-1-yl]hept-5-enoic acid
CID 162281733
(Z)-7-[(1S,2S,3S,4R)-3-[(1,3-dioxoisoindol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
CID 70485407
(Z)-7-[(1R)-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
CID 138978370
(Z)-7-[(2S)-2-[(3R,4S)-3-hydroxy-4-methyl-6-phenylhexyl]-5-oxopyrrolidin-1-yl]hept-5-enoic acid
CID 86300956
7-[(2R)-2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-6-oxopiperidin-1-yl]hept-5-enoic acid;methyl 7-[(2R)-2-(3-hydroxy-4-phenylbut-1-enyl)-6-oxopiperidin-1-yl]hept-5-enoate
CID 161376194

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(2R)-2-[4-(1-hydroxycyclobutyl)phenyl]-4-oxoazetidin-1-yl]hept-5-enoic acid?
The IUPAC name of (Z)-7-[(2R)-2-[4-(1-hydroxycyclobutyl)phenyl]-4-oxoazetidin-1-yl]hept-5-enoic acid (CID 11963067) is (Z)-7-[(2R)-2-[4-(1-hydroxycyclobutyl)phenyl]-4-oxoazetidin-1-yl]hept-5-enoic acid.
What is the SMILES notation for (Z)-7-[(2R)-2-[4-(1-hydroxycyclobutyl)phenyl]-4-oxoazetidin-1-yl]hept-5-enoic acid?
The canonical SMILES for (Z)-7-[(2R)-2-[4-(1-hydroxycyclobutyl)phenyl]-4-oxoazetidin-1-yl]hept-5-enoic acid is O=C(O)CCC/C=C\CN1C(=O)C[C@@H]1c1ccc(C2(O)CCC2)cc1.
What is the InChIKey of (Z)-7-[(2R)-2-[4-(1-hydroxycyclobutyl)phenyl]-4-oxoazetidin-1-yl]hept-5-enoic acid?
The InChIKey is UJQFXVMPGCXYIE-POKLJVKSSA-N. The full InChI is InChI=1S/C20H25NO4/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/h2,4,7-10,17,25H,1,3,5-6,11-14H2,(H,23,24)/b4-2-/t17-/m1/s1.
What are the key properties of (Z)-7-[(2R)-2-[4-(1-hydroxycyclobutyl)phenyl]-4-oxoazetidin-1-yl]hept-5-enoic acid?
(Z)-7-[(2R)-2-[4-(1-hydroxycyclobutyl)phenyl]-4-oxoazetidin-1-yl]hept-5-enoic acid has a molecular weight of 343.42 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(2R)-2-[4-(1-hydroxycyclobutyl)phenyl]-4-oxoazetidin-1-yl]hept-5-enoic acid is sourced from PubChem (CID 11963067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).