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

C13H16N2O4 — CID 64618602

IUPAC2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid
SMILESCOc1ccc(NC(=O)N2CC(CC(=O)O)C2)cc1
InChIInChI=1S/C13H16N2O4/c1-19-11-4-2-10(3-5-11)14-13(18)15-7-9(8-15)6-12(16)17/h2-5,9H,6-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyFWTWGEMMZPXMEZ-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.63
Rot. Bonds4

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

2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid (PubChem CID 64618602) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid
PubChem CID64618602
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid
SMILESCOc1ccc(NC(=O)N2CC(CC(=O)O)C2)cc1
InChIInChI=1S/C13H16N2O4/c1-19-11-4-2-10(3-5-11)14-13(18)15-7-9(8-15)6-12(16)17/h2-5,9H,6-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyFWTWGEMMZPXMEZ-UHFFFAOYSA-N
XLogP1.63
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4-methylsulfanylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618401
3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 62372910
2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116681654
3-ethyl-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 47177019
2-[1-[(4-butylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64617432
2-[1-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]azetidin-3-yl]acetic acid
CID 107629128
4-(methoxymethyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 121091713
3-[bis(2-methylpropyl)amino]-N-(4-methoxyphenyl)azetidine-1-carboxamide
CID 23140249
2-[1-[(4-fluoro-2-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64617654
N-(4-methoxyphenyl)-4-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carboxamide
CID 53057839
2-[1-[(4-ethylphenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689955
3-(benzenesulfonyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 90585047

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid (CID 64618602) is 2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid is COc1ccc(NC(=O)N2CC(CC(=O)O)C2)cc1.
What is the InChIKey of 2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid?
The InChIKey is FWTWGEMMZPXMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-19-11-4-2-10(3-5-11)14-13(18)15-7-9(8-15)6-12(16)17/h2-5,9H,6-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid?
2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid has a molecular weight of 264.28 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64618602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).