2-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]acetic acid

C13H17NO4 — CID 17267498

IUPAC2-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]acetic acid
SMILESCc1ccc(C(C)NC(=O)COCC(=O)O)cc1
InChIInChI=1S/C13H17NO4/c1-9-3-5-11(6-4-9)10(2)14-12(15)7-18-8-13(16)17/h3-6,10H,7-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyAOFKCZZKHZDEBU-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.27
Rot. Bonds6

About 2-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]acetic acid

2-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]acetic acid (PubChem CID 17267498) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]acetic acid
PubChem CID17267498
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]acetic acid
SMILESCc1ccc(C(C)NC(=O)COCC(=O)O)cc1
InChIInChI=1S/C13H17NO4/c1-9-3-5-11(6-4-9)10(2)14-12(15)7-18-8-13(16)17/h3-6,10H,7-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyAOFKCZZKHZDEBU-UHFFFAOYSA-N
XLogP1.27
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-methylphenyl)ethyl]-2-propoxyacetamide
CID 107941740
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
2-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethoxy]acetic acid
CID 60708265
2-[2-oxo-2-(1-thiophen-3-ylethylamino)ethoxy]acetic acid
CID 62841517
2-[2-oxo-2-(1-pyridin-3-ylethylamino)ethoxy]acetic acid
CID 61328794
2-(2-methylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 94012505
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632446
sodium;2-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide;(1R)-1-(4-methylphenyl)ethanamine;hydroxide
CID 157239049
2-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 81408914
N-[1-(4-ethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17326918
2-(3-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 99132930
N-[(1R)-1-(4-bromophenyl)ethyl]-2-ethoxyacetamide
CID 81359041

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]acetic acid (CID 17267498) is 2-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]acetic acid is Cc1ccc(C(C)NC(=O)COCC(=O)O)cc1.
What is the InChIKey of 2-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]acetic acid?
The InChIKey is AOFKCZZKHZDEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-9-3-5-11(6-4-9)10(2)14-12(15)7-18-8-13(16)17/h3-6,10H,7-8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]acetic acid?
2-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]acetic acid has a molecular weight of 251.28 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 17267498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).