2-[4-[[2-(azetidin-3-yl)acetyl]amino]phenoxy]acetic acid

C13H16N2O4 — CID 64612475

IUPAC2-[4-[[2-(azetidin-3-yl)acetyl]amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)CC2CNC2)cc1
InChIInChI=1S/C13H16N2O4/c16-12(5-9-6-14-7-9)15-10-1-3-11(4-2-10)19-8-13(17)18/h1-4,9,14H,5-8H2,(H,15,16)(H,17,18)
InChIKeyMOKLZNDGJOGTCP-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.70
Rot. Bonds6

About 2-[4-[[2-(azetidin-3-yl)acetyl]amino]phenoxy]acetic acid

2-[4-[[2-(azetidin-3-yl)acetyl]amino]phenoxy]acetic acid (PubChem CID 64612475) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[4-[[2-(azetidin-3-yl)acetyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(azetidin-3-yl)acetyl]amino]phenoxy]acetic acid
PubChem CID64612475
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[4-[[2-(azetidin-3-yl)acetyl]amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)CC2CNC2)cc1
InChIInChI=1S/C13H16N2O4/c16-12(5-9-6-14-7-9)15-10-1-3-11(4-2-10)19-8-13(17)18/h1-4,9,14H,5-8H2,(H,15,16)(H,17,18)
InChIKeyMOKLZNDGJOGTCP-UHFFFAOYSA-N
XLogP0.70
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-yl)-N-[4-(cyanomethoxy)phenyl]acetamide
CID 64610182
2-[4-[[2-(4-iodophenoxy)acetyl]amino]phenoxy]acetic acid
CID 1288987
2-[4-(cyclopropylmethylcarbamoylamino)phenoxy]acetic acid
CID 55242463
2-[4-[[2-(ethylamino)acetyl]amino]phenoxy]acetic acid
CID 63745882
2-[4-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenoxy]acetic acid
CID 18924126
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(azetidin-3-yl)acetamide
CID 64618375
2-(azetidin-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 64617395
2-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenoxy]acetic acid
CID 115949264
N-(4-phenylmethoxyphenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119669311
2-(cyclopropylmethylamino)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]acetamide
CID 119713365
2-(azetidin-3-yl)-N-(2-phenoxyethyl)acetamide
CID 64609991
2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid
CID 63772718

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(azetidin-3-yl)acetyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[2-(azetidin-3-yl)acetyl]amino]phenoxy]acetic acid (CID 64612475) is 2-[4-[[2-(azetidin-3-yl)acetyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[2-(azetidin-3-yl)acetyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[2-(azetidin-3-yl)acetyl]amino]phenoxy]acetic acid is O=C(O)COc1ccc(NC(=O)CC2CNC2)cc1.
What is the InChIKey of 2-[4-[[2-(azetidin-3-yl)acetyl]amino]phenoxy]acetic acid?
The InChIKey is MOKLZNDGJOGTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-12(5-9-6-14-7-9)15-10-1-3-11(4-2-10)19-8-13(17)18/h1-4,9,14H,5-8H2,(H,15,16)(H,17,18).
What are the key properties of 2-[4-[[2-(azetidin-3-yl)acetyl]amino]phenoxy]acetic acid?
2-[4-[[2-(azetidin-3-yl)acetyl]amino]phenoxy]acetic acid has a molecular weight of 264.28 g/mol, XLogP of 0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(azetidin-3-yl)acetyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 64612475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).