7-[(2R)-2-(4-tert-butylphenyl)-4-oxoazetidin-1-yl]heptanoic acid

C20H29NO3 — CID 59207913

IUPAC7-[(2R)-2-(4-tert-butylphenyl)-4-oxoazetidin-1-yl]heptanoic acid
SMILESCC(C)(C)c1ccc([C@H]2CC(=O)N2CCCCCCC(=O)O)cc1
InChIInChI=1S/C20H29NO3/c1-20(2,3)16-11-9-15(10-12-16)17-14-18(22)21(17)13-7-5-4-6-8-19(23)24/h9-12,17H,4-8,13-14H2,1-3H3,(H,23,24)/t17-/m1/s1
InChIKeyOFHVFLHQBXKZMW-QGZVFWFLSA-N
MW331.46 g/mol
LogP4.29
Rot. Bonds8

About 7-[(2R)-2-(4-tert-butylphenyl)-4-oxoazetidin-1-yl]heptanoic acid

7-[(2R)-2-(4-tert-butylphenyl)-4-oxoazetidin-1-yl]heptanoic acid (PubChem CID 59207913) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 7-[(2R)-2-(4-tert-butylphenyl)-4-oxoazetidin-1-yl]heptanoic acid.

Molecular Properties

Compound Name7-[(2R)-2-(4-tert-butylphenyl)-4-oxoazetidin-1-yl]heptanoic acid
PubChem CID59207913
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name7-[(2R)-2-(4-tert-butylphenyl)-4-oxoazetidin-1-yl]heptanoic acid
SMILESCC(C)(C)c1ccc([C@H]2CC(=O)N2CCCCCCC(=O)O)cc1
InChIInChI=1S/C20H29NO3/c1-20(2,3)16-11-9-15(10-12-16)17-14-18(22)21(17)13-7-5-4-6-8-19(23)24/h9-12,17H,4-8,13-14H2,1-3H3,(H,23,24)/t17-/m1/s1
InChIKeyOFHVFLHQBXKZMW-QGZVFWFLSA-N
XLogP4.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-[(2R)-2-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)-4-oxoazetidin-1-yl]heptanoic acid
CID 11963068
8-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)octanoic acid
CID 70520475
7-[(2R)-2-(methoxymethyl)-4-oxoazetidin-1-yl]heptanoic acid
CID 58014306
(Z)-7-[(2R)-2-[4-(1-hydroxycyclobutyl)phenyl]-4-oxoazetidin-1-yl]hept-5-enoic acid
CID 11963067
(4R)-4-[4-[cyclohexyl(hydroxy)methyl]phenyl]-1-hexylazetidin-2-one;yttrium
CID 59207911
(4R)-1-hex-2-enyl-4-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]azetidin-2-one
CID 146899089
4-(4-tert-butylphenyl)sulfanylbutanoic acid
CID 20986950
7-[(1R,2S,3R)-3-hydroxy-2-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-5-oxocyclopentyl]heptanoic acid
CID 11955406
7-[3-hydroxy-1-(3-hydroxy-3-methyldecyl)-5-oxopyrrolidin-2-yl]heptanoic acid
CID 20563083
2-[3-[(4-tert-butylphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid
CID 110458273
2-[(3E)-3-[(4-tert-butylphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]acetic acid
CID 110458324
1-(3-bromobutyl)-4-phenylazetidin-2-one
CID 13048232

Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-2-(4-tert-butylphenyl)-4-oxoazetidin-1-yl]heptanoic acid?
The IUPAC name of 7-[(2R)-2-(4-tert-butylphenyl)-4-oxoazetidin-1-yl]heptanoic acid (CID 59207913) is 7-[(2R)-2-(4-tert-butylphenyl)-4-oxoazetidin-1-yl]heptanoic acid.
What is the SMILES notation for 7-[(2R)-2-(4-tert-butylphenyl)-4-oxoazetidin-1-yl]heptanoic acid?
The canonical SMILES for 7-[(2R)-2-(4-tert-butylphenyl)-4-oxoazetidin-1-yl]heptanoic acid is CC(C)(C)c1ccc([C@H]2CC(=O)N2CCCCCCC(=O)O)cc1.
What is the InChIKey of 7-[(2R)-2-(4-tert-butylphenyl)-4-oxoazetidin-1-yl]heptanoic acid?
The InChIKey is OFHVFLHQBXKZMW-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29NO3/c1-20(2,3)16-11-9-15(10-12-16)17-14-18(22)21(17)13-7-5-4-6-8-19(23)24/h9-12,17H,4-8,13-14H2,1-3H3,(H,23,24)/t17-/m1/s1.
What are the key properties of 7-[(2R)-2-(4-tert-butylphenyl)-4-oxoazetidin-1-yl]heptanoic acid?
7-[(2R)-2-(4-tert-butylphenyl)-4-oxoazetidin-1-yl]heptanoic acid has a molecular weight of 331.46 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-2-(4-tert-butylphenyl)-4-oxoazetidin-1-yl]heptanoic acid is sourced from PubChem (CID 59207913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).