2-[1-(3-methyl-2-phenylpentanoyl)azetidin-3-yl]acetic acid

C17H23NO3 — CID 64604181

IUPAC2-[1-(3-methyl-2-phenylpentanoyl)azetidin-3-yl]acetic acid
SMILESCCC(C)C(C(=O)N1CC(CC(=O)O)C1)c1ccccc1
InChIInChI=1S/C17H23NO3/c1-3-12(2)16(14-7-5-4-6-8-14)17(21)18-10-13(11-18)9-15(19)20/h4-8,12-13,16H,3,9-11H2,1-2H3,(H,19,20)
InChIKeyYQVBULRHHQYVGM-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.75
Rot. Bonds6

About 2-[1-(3-methyl-2-phenylpentanoyl)azetidin-3-yl]acetic acid

2-[1-(3-methyl-2-phenylpentanoyl)azetidin-3-yl]acetic acid (PubChem CID 64604181) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-[1-(3-methyl-2-phenylpentanoyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-methyl-2-phenylpentanoyl)azetidin-3-yl]acetic acid
PubChem CID64604181
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name2-[1-(3-methyl-2-phenylpentanoyl)azetidin-3-yl]acetic acid
SMILESCCC(C)C(C(=O)N1CC(CC(=O)O)C1)c1ccccc1
InChIInChI=1S/C17H23NO3/c1-3-12(2)16(14-7-5-4-6-8-14)17(21)18-10-13(11-18)9-15(19)20/h4-8,12-13,16H,3,9-11H2,1-2H3,(H,19,20)
InChIKeyYQVBULRHHQYVGM-UHFFFAOYSA-N
XLogP2.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-2-phenylpentan-1-one
CID 62372521
1-(3-bromopyrrolidin-1-yl)-3-methyl-2-phenylpentan-1-one
CID 80677803
1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one
CID 114501404
2-[1-[(2S,3S)-2-amino-3-methylpentanoyl]azetidin-3-yl]acetic acid
CID 64605406
2-[1-(2-ethylbutanoyl)azetidin-3-yl]acetic acid
CID 64604130
4-(3-methyl-2-phenylpentanoyl)morpholine-2-carbonitrile
CID 78967635
6-(3-methyl-2-phenylpentanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175638
1-(3-aminoazetidin-1-yl)-2-phenylbutan-1-one
CID 63753267
(5S)-7-[(2R,3S)-3-methyl-2-phenylpentanoyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 98767916
2-[1-[2-(2-chlorophenoxy)propanoyl]azetidin-3-yl]acetic acid
CID 64605835
1-(1,4-diazepan-1-yl)-3-methyl-2-phenylpentan-1-one;hydrochloride
CID 119414979
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one;hydrochloride
CID 120819474

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methyl-2-phenylpentanoyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(3-methyl-2-phenylpentanoyl)azetidin-3-yl]acetic acid (CID 64604181) is 2-[1-(3-methyl-2-phenylpentanoyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-methyl-2-phenylpentanoyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3-methyl-2-phenylpentanoyl)azetidin-3-yl]acetic acid is CCC(C)C(C(=O)N1CC(CC(=O)O)C1)c1ccccc1.
What is the InChIKey of 2-[1-(3-methyl-2-phenylpentanoyl)azetidin-3-yl]acetic acid?
The InChIKey is YQVBULRHHQYVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-3-12(2)16(14-7-5-4-6-8-14)17(21)18-10-13(11-18)9-15(19)20/h4-8,12-13,16H,3,9-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-(3-methyl-2-phenylpentanoyl)azetidin-3-yl]acetic acid?
2-[1-(3-methyl-2-phenylpentanoyl)azetidin-3-yl]acetic acid has a molecular weight of 289.37 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methyl-2-phenylpentanoyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64604181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).