2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-2-phenylacetic acid

C13H16N2O3 — CID 55036831

IUPAC2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-2-phenylacetic acid
SMILESO=C(O)C(NCC(=O)N1CCC1)c1ccccc1
InChIInChI=1S/C13H16N2O3/c16-11(15-7-4-8-15)9-14-12(13(17)18)10-5-2-1-3-6-10/h1-3,5-6,12,14H,4,7-9H2,(H,17,18)
InChIKeyAKDXUXLDKJPSPA-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.63
Rot. Bonds5

About 2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-2-phenylacetic acid

2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-2-phenylacetic acid (PubChem CID 55036831) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-2-phenylacetic acid
PubChem CID55036831
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-2-phenylacetic acid
SMILESO=C(O)C(NCC(=O)N1CCC1)c1ccccc1
InChIInChI=1S/C13H16N2O3/c16-11(15-7-4-8-15)9-14-12(13(17)18)10-5-2-1-3-6-10/h1-3,5-6,12,14H,4,7-9H2,(H,17,18)
InChIKeyAKDXUXLDKJPSPA-UHFFFAOYSA-N
XLogP0.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
CID 28564943
2-(1-phenylpropylamino)-1-piperidin-1-ylethanone
CID 54845364
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-phenylacetic acid
CID 81411047
(2R)-2-[(4-methyl-1,4-diazepane-1-carbonyl)amino]-2-phenylacetic acid
CID 61193066
2-[(2-hydroxy-2-phenylethyl)amino]-1-piperidin-1-ylethanone
CID 43392858
2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetic acid
CID 62110373
1-(azepan-1-yl)-2-(2-phenylpropylamino)ethanone
CID 115573496
(2R)-2-phenyl-2-(phosphonomethylamino)acetic acid
CID 10610342
2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468727
2-[7-[[carboxy(phenyl)methyl]amino]heptylamino]-2-phenylacetic acid;hydrobromide
CID 54599011
2-[5-[[carboxy(phenyl)methyl]amino]pentylamino]-2-phenylacetic acid;hydrobromide
CID 54603034

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-2-phenylacetic acid (CID 55036831) is 2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-2-phenylacetic acid is O=C(O)C(NCC(=O)N1CCC1)c1ccccc1.
What is the InChIKey of 2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-2-phenylacetic acid?
The InChIKey is AKDXUXLDKJPSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-11(15-7-4-8-15)9-14-12(13(17)18)10-5-2-1-3-6-10/h1-3,5-6,12,14H,4,7-9H2,(H,17,18).
What are the key properties of 2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-2-phenylacetic acid?
2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-2-phenylacetic acid has a molecular weight of 248.28 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 55036831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).