2-[1-(4-methoxybenzoyl)azetidin-3-yl]propanoic acid

C14H17NO4 — CID 116680825

IUPAC2-[1-(4-methoxybenzoyl)azetidin-3-yl]propanoic acid
SMILESCOc1ccc(C(=O)N2CC(C(C)C(=O)O)C2)cc1
InChIInChI=1S/C14H17NO4/c1-9(14(17)18)11-7-15(8-11)13(16)10-3-5-12(19-2)6-4-10/h3-6,9,11H,7-8H2,1-2H3,(H,17,18)
InChIKeyHCMHTCHWKWYBPX-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.49
Rot. Bonds4

About 2-[1-(4-methoxybenzoyl)azetidin-3-yl]propanoic acid

2-[1-(4-methoxybenzoyl)azetidin-3-yl]propanoic acid (PubChem CID 116680825) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[1-(4-methoxybenzoyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(4-methoxybenzoyl)azetidin-3-yl]propanoic acid
PubChem CID116680825
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[1-(4-methoxybenzoyl)azetidin-3-yl]propanoic acid
SMILESCOc1ccc(C(=O)N2CC(C(C)C(=O)O)C2)cc1
InChIInChI=1S/C14H17NO4/c1-9(14(17)18)11-7-15(8-11)13(16)10-3-5-12(19-2)6-4-10/h3-6,9,11H,7-8H2,1-2H3,(H,17,18)
InChIKeyHCMHTCHWKWYBPX-UHFFFAOYSA-N
XLogP1.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-methoxy-4-methylbenzoyl)azetidin-3-yl]propanoic acid
CID 116681043
2-[1-(4-ethylbenzoyl)azetidin-3-yl]propanoic acid
CID 116681101
2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116681654
2-[1-(4-acetamidobenzoyl)azetidin-3-yl]propanoic acid
CID 116680919
2-[1-(2,6-dimethoxybenzoyl)azetidin-3-yl]propanoic acid
CID 116681214
[3-(dimethylamino)azetidin-1-yl]-(4-methoxyphenyl)methanone
CID 143566015
2-[1-(4-butylbenzoyl)azetidin-3-yl]propanoic acid
CID 116681152
2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]propanoic acid
CID 116681235
2-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]propanoic acid
CID 116681809
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
2-[1-(3,5-dibromobenzoyl)azetidin-3-yl]propanoic acid
CID 114022552
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxybenzoyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(4-methoxybenzoyl)azetidin-3-yl]propanoic acid (CID 116680825) is 2-[1-(4-methoxybenzoyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(4-methoxybenzoyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(4-methoxybenzoyl)azetidin-3-yl]propanoic acid is COc1ccc(C(=O)N2CC(C(C)C(=O)O)C2)cc1.
What is the InChIKey of 2-[1-(4-methoxybenzoyl)azetidin-3-yl]propanoic acid?
The InChIKey is HCMHTCHWKWYBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9(14(17)18)11-7-15(8-11)13(16)10-3-5-12(19-2)6-4-10/h3-6,9,11H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(4-methoxybenzoyl)azetidin-3-yl]propanoic acid?
2-[1-(4-methoxybenzoyl)azetidin-3-yl]propanoic acid has a molecular weight of 263.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxybenzoyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116680825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).