2-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]azetidin-3-yl]acetic acid

C15H20N2O3 — CID 64616915

IUPAC2-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]azetidin-3-yl]acetic acid
SMILESCc1ccc(CNC(=O)CN2CC(CC(=O)O)C2)cc1
InChIInChI=1S/C15H20N2O3/c1-11-2-4-12(5-3-11)7-16-14(18)10-17-8-13(9-17)6-15(19)20/h2-5,13H,6-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyFRRRDCWHRPDFPU-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.02
Rot. Bonds6

About 2-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]azetidin-3-yl]acetic acid

2-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]azetidin-3-yl]acetic acid (PubChem CID 64616915) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]azetidin-3-yl]acetic acid
PubChem CID64616915
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]azetidin-3-yl]acetic acid
SMILESCc1ccc(CNC(=O)CN2CC(CC(=O)O)C2)cc1
InChIInChI=1S/C15H20N2O3/c1-11-2-4-12(5-3-11)7-16-14(18)10-17-8-13(9-17)6-15(19)20/h2-5,13H,6-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyFRRRDCWHRPDFPU-UHFFFAOYSA-N
XLogP1.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-aminopyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119933946
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 108997193
2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618280
2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64616490
2-(3-aminoazetidin-1-yl)-N-benzylacetamide
CID 63760913
N-[(4-methylphenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924667
2-[1-[2-oxo-2-(4-propylanilino)ethyl]azetidin-3-yl]acetic acid
CID 64616096
2-[1-[2-(2-methylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618917
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 61235743
N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34943408
2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618906
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 874332

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]azetidin-3-yl]acetic acid (CID 64616915) is 2-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]azetidin-3-yl]acetic acid is Cc1ccc(CNC(=O)CN2CC(CC(=O)O)C2)cc1.
What is the InChIKey of 2-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]azetidin-3-yl]acetic acid?
The InChIKey is FRRRDCWHRPDFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-2-4-12(5-3-11)7-16-14(18)10-17-8-13(9-17)6-15(19)20/h2-5,13H,6-10H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]azetidin-3-yl]acetic acid?
2-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]azetidin-3-yl]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64616915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).