2-[1-[(4-fluoro-2-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid

C13H15FN2O4 — CID 64617654

IUPAC2-[1-[(4-fluoro-2-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid
SMILESCOc1cc(F)ccc1NC(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C13H15FN2O4/c1-20-11-5-9(14)2-3-10(11)15-13(19)16-6-8(7-16)4-12(17)18/h2-3,5,8H,4,6-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyDUWQMAWKFZYNHS-UHFFFAOYSA-N
MW282.27 g/mol
LogP1.77
Rot. Bonds4

About 2-[1-[(4-fluoro-2-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid

2-[1-[(4-fluoro-2-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid (PubChem CID 64617654) has the molecular formula C13H15FN2O4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 2-[1-[(4-fluoro-2-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-fluoro-2-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid
PubChem CID64617654
Molecular FormulaC13H15FN2O4
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name2-[1-[(4-fluoro-2-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid
SMILESCOc1cc(F)ccc1NC(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C13H15FN2O4/c1-20-11-5-9(14)2-3-10(11)15-13(19)16-6-8(7-16)4-12(17)18/h2-3,5,8H,4,6-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyDUWQMAWKFZYNHS-UHFFFAOYSA-N
XLogP1.77
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluoro-2-methoxyanilino)-3-oxopropanoic acid
CID 62232302
2-[1-[(2-chloro-4-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64617426
2-[1-[(2-chloro-4-fluorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62691149
2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618602
5-fluoro-2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 64599438
2-[1-[(2-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64616406
2-[1-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]azetidin-3-yl]acetic acid
CID 107629128
N-(4-fluoro-2-methoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86988601
N-(4-fluoro-2-methoxyphenyl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide
CID 136515635
2-[1-[(5-bromo-2-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618820
2-[1-[(2,4-dimethylphenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62690811
2-[1-[2-(2-methoxyanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64617921

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluoro-2-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(4-fluoro-2-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid (CID 64617654) is 2-[1-[(4-fluoro-2-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(4-fluoro-2-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(4-fluoro-2-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid is COc1cc(F)ccc1NC(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[(4-fluoro-2-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid?
The InChIKey is DUWQMAWKFZYNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O4/c1-20-11-5-9(14)2-3-10(11)15-13(19)16-6-8(7-16)4-12(17)18/h2-3,5,8H,4,6-7H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[1-[(4-fluoro-2-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid?
2-[1-[(4-fluoro-2-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid has a molecular weight of 282.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluoro-2-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64617654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).