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

C14H16ClNO4 — CID 64605835

IUPAC2-[1-[2-(2-chlorophenoxy)propanoyl]azetidin-3-yl]acetic acid
SMILESCC(Oc1ccccc1Cl)C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C14H16ClNO4/c1-9(20-12-5-3-2-4-11(12)15)14(19)16-7-10(8-16)6-13(17)18/h2-5,9-10H,6-8H2,1H3,(H,17,18)
InChIKeyUXIQBQGNVDKMFV-UHFFFAOYSA-N
MW297.74 g/mol
LogP2.04
Rot. Bonds5

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

2-[1-[2-(2-chlorophenoxy)propanoyl]azetidin-3-yl]acetic acid (PubChem CID 64605835) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is 2-[1-[2-(2-chlorophenoxy)propanoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-chlorophenoxy)propanoyl]azetidin-3-yl]acetic acid
PubChem CID64605835
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Name2-[1-[2-(2-chlorophenoxy)propanoyl]azetidin-3-yl]acetic acid
SMILESCC(Oc1ccccc1Cl)C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C14H16ClNO4/c1-9(20-12-5-3-2-4-11(12)15)14(19)16-7-10(8-16)6-13(17)18/h2-5,9-10H,6-8H2,1H3,(H,17,18)
InChIKeyUXIQBQGNVDKMFV-UHFFFAOYSA-N
XLogP2.04
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chlorophenoxy)propanoyl]-N-methylazetidine-3-carboxamide
CID 136532070
(3S,4S)-1-[2-(2-chlorophenoxy)propanoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950996
2-(2-chlorophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43417497
2-(2-chlorophenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119396508
2-(2-chlorophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one
CID 114680455
methyl 1-[2-(2-chlorophenoxy)propanoyl]pyrrolidine-3-carboxylate
CID 112733832
(3S,4S)-1-[2-(2,3-dichlorophenoxy)propanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120953063
2-[1-(3-methyl-2-phenylpentanoyl)azetidin-3-yl]acetic acid
CID 64604181
2-[4-[2-(2-chlorophenoxy)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 134034895
1-(4-benzoylpiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one
CID 55823679
2-[2-(2-chlorophenoxy)propanoyl-(cyclopropylmethyl)amino]acetic acid
CID 43655313
2-(2-chlorophenoxy)pentan-3-one
CID 64866523

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-chlorophenoxy)propanoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(2-chlorophenoxy)propanoyl]azetidin-3-yl]acetic acid (CID 64605835) is 2-[1-[2-(2-chlorophenoxy)propanoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-chlorophenoxy)propanoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-chlorophenoxy)propanoyl]azetidin-3-yl]acetic acid is CC(Oc1ccccc1Cl)C(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[2-(2-chlorophenoxy)propanoyl]azetidin-3-yl]acetic acid?
The InChIKey is UXIQBQGNVDKMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4/c1-9(20-12-5-3-2-4-11(12)15)14(19)16-7-10(8-16)6-13(17)18/h2-5,9-10H,6-8H2,1H3,(H,17,18).
What are the key properties of 2-[1-[2-(2-chlorophenoxy)propanoyl]azetidin-3-yl]acetic acid?
2-[1-[2-(2-chlorophenoxy)propanoyl]azetidin-3-yl]acetic acid has a molecular weight of 297.74 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-chlorophenoxy)propanoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64605835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).