2-(N-[2-(azetidin-3-yl)acetyl]-4-chloroanilino)acetic acid

C13H15ClN2O3 — CID 64611610

IUPAC2-(N-[2-(azetidin-3-yl)acetyl]-4-chloroanilino)acetic acid
SMILESO=C(O)CN(C(=O)CC1CNC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN2O3/c14-10-1-3-11(4-2-10)16(8-13(18)19)12(17)5-9-6-15-7-9/h1-4,9,15H,5-8H2,(H,18,19)
InChIKeyOXWUOTAVWOSMHR-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.37
Rot. Bonds5

About 2-(N-[2-(azetidin-3-yl)acetyl]-4-chloroanilino)acetic acid

2-(N-[2-(azetidin-3-yl)acetyl]-4-chloroanilino)acetic acid (PubChem CID 64611610) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-(N-[2-(azetidin-3-yl)acetyl]-4-chloroanilino)acetic acid.

Molecular Properties

Compound Name2-(N-[2-(azetidin-3-yl)acetyl]-4-chloroanilino)acetic acid
PubChem CID64611610
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name2-(N-[2-(azetidin-3-yl)acetyl]-4-chloroanilino)acetic acid
SMILESO=C(O)CN(C(=O)CC1CNC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN2O3/c14-10-1-3-11(4-2-10)16(8-13(18)19)12(17)5-9-6-15-7-9/h1-4,9,15H,5-8H2,(H,18,19)
InChIKeyOXWUOTAVWOSMHR-UHFFFAOYSA-N
XLogP1.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(azetidin-3-yl)acetyl]-4-chloroanilino)acetic acid?
The IUPAC name of 2-(N-[2-(azetidin-3-yl)acetyl]-4-chloroanilino)acetic acid (CID 64611610) is 2-(N-[2-(azetidin-3-yl)acetyl]-4-chloroanilino)acetic acid.
What is the SMILES notation for 2-(N-[2-(azetidin-3-yl)acetyl]-4-chloroanilino)acetic acid?
The canonical SMILES for 2-(N-[2-(azetidin-3-yl)acetyl]-4-chloroanilino)acetic acid is O=C(O)CN(C(=O)CC1CNC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(N-[2-(azetidin-3-yl)acetyl]-4-chloroanilino)acetic acid?
The InChIKey is OXWUOTAVWOSMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c14-10-1-3-11(4-2-10)16(8-13(18)19)12(17)5-9-6-15-7-9/h1-4,9,15H,5-8H2,(H,18,19).
What are the key properties of 2-(N-[2-(azetidin-3-yl)acetyl]-4-chloroanilino)acetic acid?
2-(N-[2-(azetidin-3-yl)acetyl]-4-chloroanilino)acetic acid has a molecular weight of 282.73 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-(azetidin-3-yl)acetyl]-4-chloroanilino)acetic acid is sourced from PubChem (CID 64611610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).