2-[1-[3-(4-methylphenoxy)propanoyl]azetidin-3-yl]acetic acid

C15H19NO4 — CID 64603524

IUPAC2-[1-[3-(4-methylphenoxy)propanoyl]azetidin-3-yl]acetic acid
SMILESCc1ccc(OCCC(=O)N2CC(CC(=O)O)C2)cc1
InChIInChI=1S/C15H19NO4/c1-11-2-4-13(5-3-11)20-7-6-14(17)16-9-12(10-16)8-15(18)19/h2-5,12H,6-10H2,1H3,(H,18,19)
InChIKeyNCHQOWKTQNNKSL-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.70
Rot. Bonds6

About 2-[1-[3-(4-methylphenoxy)propanoyl]azetidin-3-yl]acetic acid

2-[1-[3-(4-methylphenoxy)propanoyl]azetidin-3-yl]acetic acid (PubChem CID 64603524) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[1-[3-(4-methylphenoxy)propanoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(4-methylphenoxy)propanoyl]azetidin-3-yl]acetic acid
PubChem CID64603524
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[1-[3-(4-methylphenoxy)propanoyl]azetidin-3-yl]acetic acid
SMILESCc1ccc(OCCC(=O)N2CC(CC(=O)O)C2)cc1
InChIInChI=1S/C15H19NO4/c1-11-2-4-13(5-3-11)20-7-6-14(17)16-9-12(10-16)8-15(18)19/h2-5,12H,6-10H2,1H3,(H,18,19)
InChIKeyNCHQOWKTQNNKSL-UHFFFAOYSA-N
XLogP1.70
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 60634826
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-4-(4-methylphenoxy)butan-1-one
CID 62372715
2-[1-[2-(4-methylphenyl)sulfanylacetyl]azetidin-3-yl]acetic acid
CID 64603572
1-(4-hydroxy-4-methylpiperidin-1-yl)-3-(4-methylphenoxy)propan-1-one
CID 80707475
1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110638149
2-[1-(4-methylbenzoyl)azetidin-3-yl]acetic acid
CID 64603311
3-(4-aminophenoxy)-1-(3,4-dihydroxypyrrolidin-1-yl)propan-1-one
CID 106666931
2-[1-[2-(4-ethoxyphenoxy)ethyl]azetidin-3-yl]acetic acid
CID 64617332
1-[4-(4-methylphenyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 113075303
(2R)-1-[3-(4-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 78922353
1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one
CID 167918207
2-[1-[2-(4-chloro-3-methylphenoxy)acetyl]azetidin-3-yl]acetic acid
CID 64603730

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(4-methylphenoxy)propanoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[3-(4-methylphenoxy)propanoyl]azetidin-3-yl]acetic acid (CID 64603524) is 2-[1-[3-(4-methylphenoxy)propanoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-(4-methylphenoxy)propanoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[3-(4-methylphenoxy)propanoyl]azetidin-3-yl]acetic acid is Cc1ccc(OCCC(=O)N2CC(CC(=O)O)C2)cc1.
What is the InChIKey of 2-[1-[3-(4-methylphenoxy)propanoyl]azetidin-3-yl]acetic acid?
The InChIKey is NCHQOWKTQNNKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-11-2-4-13(5-3-11)20-7-6-14(17)16-9-12(10-16)8-15(18)19/h2-5,12H,6-10H2,1H3,(H,18,19).
What are the key properties of 2-[1-[3-(4-methylphenoxy)propanoyl]azetidin-3-yl]acetic acid?
2-[1-[3-(4-methylphenoxy)propanoyl]azetidin-3-yl]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(4-methylphenoxy)propanoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64603524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).