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

C14H16FNO3 — CID 64604563

IUPAC2-[1-[3-(4-fluorophenyl)propanoyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)CCc2ccc(F)cc2)C1
InChIInChI=1S/C14H16FNO3/c15-12-4-1-10(2-5-12)3-6-13(17)16-8-11(9-16)7-14(18)19/h1-2,4-5,11H,3,6-9H2,(H,18,19)
InChIKeyAQKBQRQHCORFOP-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.69
Rot. Bonds5

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

2-[1-[3-(4-fluorophenyl)propanoyl]azetidin-3-yl]acetic acid (PubChem CID 64604563) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-[1-[3-(4-fluorophenyl)propanoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(4-fluorophenyl)propanoyl]azetidin-3-yl]acetic acid
PubChem CID64604563
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name2-[1-[3-(4-fluorophenyl)propanoyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)CCc2ccc(F)cc2)C1
InChIInChI=1S/C14H16FNO3/c15-12-4-1-10(2-5-12)3-6-13(17)16-8-11(9-16)7-14(18)19/h1-2,4-5,11H,3,6-9H2,(H,18,19)
InChIKeyAQKBQRQHCORFOP-UHFFFAOYSA-N
XLogP1.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(4-fluorophenyl)ethylcarbamoyl]azetidin-3-yl]acetic acid
CID 64617413
1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 124589038
1-[(3aR,5S,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-3-(4-fluorophenyl)propan-1-one
CID 56863969
3-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]propan-1-one
CID 110158923
1-(3-benzylazetidin-1-yl)-3-phenylpropan-1-one
CID 47082882
3-cyclopentyl-1-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 134021012
2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]acetic acid
CID 61010514
3-(4-fluorophenyl)-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]propan-1-one
CID 110629087
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one;hydrochloride
CID 119644081
1-(3-aminoazetidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 63753631
1-(3,4-dihydroxypyrrolidin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 106670987
3-(4-fluorophenyl)-1-(4-methylidenepiperidin-1-yl)propan-1-one
CID 70307419

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(4-fluorophenyl)propanoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[3-(4-fluorophenyl)propanoyl]azetidin-3-yl]acetic acid (CID 64604563) is 2-[1-[3-(4-fluorophenyl)propanoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-(4-fluorophenyl)propanoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[3-(4-fluorophenyl)propanoyl]azetidin-3-yl]acetic acid is O=C(O)CC1CN(C(=O)CCc2ccc(F)cc2)C1.
What is the InChIKey of 2-[1-[3-(4-fluorophenyl)propanoyl]azetidin-3-yl]acetic acid?
The InChIKey is AQKBQRQHCORFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c15-12-4-1-10(2-5-12)3-6-13(17)16-8-11(9-16)7-14(18)19/h1-2,4-5,11H,3,6-9H2,(H,18,19).
What are the key properties of 2-[1-[3-(4-fluorophenyl)propanoyl]azetidin-3-yl]acetic acid?
2-[1-[3-(4-fluorophenyl)propanoyl]azetidin-3-yl]acetic acid has a molecular weight of 265.28 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(4-fluorophenyl)propanoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64604563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).