2-[3-(2-carbamoylphenoxy)azetidin-3-yl]acetic acid

C12H14N2O4 — CID 107140719

IUPAC2-[3-(2-carbamoylphenoxy)azetidin-3-yl]acetic acid
SMILESNC(=O)c1ccccc1OC1(CC(=O)O)CNC1
InChIInChI=1S/C12H14N2O4/c13-11(17)8-3-1-2-4-9(8)18-12(5-10(15)16)6-14-7-12/h1-4,14H,5-7H2,(H2,13,17)(H,15,16)
InChIKeyQVVWDMKMAXAALI-UHFFFAOYSA-N
MW250.25 g/mol
LogP-0.02
Rot. Bonds5

About 2-[3-(2-carbamoylphenoxy)azetidin-3-yl]acetic acid

2-[3-(2-carbamoylphenoxy)azetidin-3-yl]acetic acid (PubChem CID 107140719) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-[3-(2-carbamoylphenoxy)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-carbamoylphenoxy)azetidin-3-yl]acetic acid
PubChem CID107140719
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-[3-(2-carbamoylphenoxy)azetidin-3-yl]acetic acid
SMILESNC(=O)c1ccccc1OC1(CC(=O)O)CNC1
InChIInChI=1S/C12H14N2O4/c13-11(17)8-3-1-2-4-9(8)18-12(5-10(15)16)6-14-7-12/h1-4,14H,5-7H2,(H2,13,17)(H,15,16)
InChIKeyQVVWDMKMAXAALI-UHFFFAOYSA-N
XLogP-0.02
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[2-(trifluoromethoxy)phenoxy]azetidin-3-yl]acetic acid
CID 107140981
2-[3-(2-chloro-4-fluorophenoxy)azetidin-3-yl]acetic acid
CID 107140808
2-[3-(4-acetylphenoxy)azetidin-3-yl]acetic acid
CID 107140663
2-[3-(4,5-dichloro-2-nitrophenoxy)azetidin-3-yl]acetic acid
CID 107499259
2-[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]azetidin-3-yl]acetic acid
CID 107141007
2-[3-(3-cyanophenoxy)azetidin-3-yl]acetic acid
CID 107140720
(2-carbamoylphenyl) hydrogen carbonate
CID 91199327
2-[3-(5-chloro-2-cyanophenoxy)azetidin-3-yl]acetic acid
CID 107140947
2-[1-(2-ethylphenoxy)cyclobutyl]acetic acid
CID 103272592
(2-carbamoylphenoxy)carbamic acid
CID 174929401
benzene-1,2-dicarboxamide;piperazine
CID 159137360
2-[3-(5,7-dibromoquinolin-8-yl)oxyazetidin-3-yl]acetic acid
CID 107140830

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-carbamoylphenoxy)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(2-carbamoylphenoxy)azetidin-3-yl]acetic acid (CID 107140719) is 2-[3-(2-carbamoylphenoxy)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-carbamoylphenoxy)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(2-carbamoylphenoxy)azetidin-3-yl]acetic acid is NC(=O)c1ccccc1OC1(CC(=O)O)CNC1.
What is the InChIKey of 2-[3-(2-carbamoylphenoxy)azetidin-3-yl]acetic acid?
The InChIKey is QVVWDMKMAXAALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c13-11(17)8-3-1-2-4-9(8)18-12(5-10(15)16)6-14-7-12/h1-4,14H,5-7H2,(H2,13,17)(H,15,16).
What are the key properties of 2-[3-(2-carbamoylphenoxy)azetidin-3-yl]acetic acid?
2-[3-(2-carbamoylphenoxy)azetidin-3-yl]acetic acid has a molecular weight of 250.25 g/mol, XLogP of -0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-carbamoylphenoxy)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107140719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).