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

C15H18N2O4 — CID 116680919

IUPAC2-[1-(4-acetamidobenzoyl)azetidin-3-yl]propanoic acid
SMILESCC(=O)Nc1ccc(C(=O)N2CC(C(C)C(=O)O)C2)cc1
InChIInChI=1S/C15H18N2O4/c1-9(15(20)21)12-7-17(8-12)14(19)11-3-5-13(6-4-11)16-10(2)18/h3-6,9,12H,7-8H2,1-2H3,(H,16,18)(H,20,21)
InChIKeyQFWQEFDRMQUBLB-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.44
Rot. Bonds4

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

2-[1-(4-acetamidobenzoyl)azetidin-3-yl]propanoic acid (PubChem CID 116680919) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[1-(4-acetamidobenzoyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(4-acetamidobenzoyl)azetidin-3-yl]propanoic acid
PubChem CID116680919
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[1-(4-acetamidobenzoyl)azetidin-3-yl]propanoic acid
SMILESCC(=O)Nc1ccc(C(=O)N2CC(C(C)C(=O)O)C2)cc1
InChIInChI=1S/C15H18N2O4/c1-9(15(20)21)12-7-17(8-12)14(19)11-3-5-13(6-4-11)16-10(2)18/h3-6,9,12H,7-8H2,1-2H3,(H,16,18)(H,20,21)
InChIKeyQFWQEFDRMQUBLB-UHFFFAOYSA-N
XLogP1.44
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-methoxybenzoyl)azetidin-3-yl]propanoic acid
CID 116680825
2-[1-(4-ethylbenzoyl)azetidin-3-yl]propanoic acid
CID 116681101
2-[1-(4-butylbenzoyl)azetidin-3-yl]propanoic acid
CID 116681152
N-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110800200
N-[4-(3-ethylsulfonylazetidine-1-carbonyl)phenyl]acetamide
CID 121164402
2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]propanoic acid
CID 116681235
N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 62918779
2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116681654
2-[1-(3,5-dibromobenzoyl)azetidin-3-yl]propanoic acid
CID 114022552
N-[4-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl]acetamide
CID 134023910
2-[1-(3-methoxy-4-methylbenzoyl)azetidin-3-yl]propanoic acid
CID 116681043
N-[4-(4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 110741243

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-acetamidobenzoyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(4-acetamidobenzoyl)azetidin-3-yl]propanoic acid (CID 116680919) is 2-[1-(4-acetamidobenzoyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(4-acetamidobenzoyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(4-acetamidobenzoyl)azetidin-3-yl]propanoic acid is CC(=O)Nc1ccc(C(=O)N2CC(C(C)C(=O)O)C2)cc1.
What is the InChIKey of 2-[1-(4-acetamidobenzoyl)azetidin-3-yl]propanoic acid?
The InChIKey is QFWQEFDRMQUBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9(15(20)21)12-7-17(8-12)14(19)11-3-5-13(6-4-11)16-10(2)18/h3-6,9,12H,7-8H2,1-2H3,(H,16,18)(H,20,21).
What are the key properties of 2-[1-(4-acetamidobenzoyl)azetidin-3-yl]propanoic acid?
2-[1-(4-acetamidobenzoyl)azetidin-3-yl]propanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-acetamidobenzoyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116680919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).