2-[[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetic acid

C12H15NO4 — CID 146503139

IUPAC2-[[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetic acid
SMILESCc1ccc(COC(=O)CNCC(=O)O)cc1
InChIInChI=1S/C12H15NO4/c1-9-2-4-10(5-3-9)8-17-12(16)7-13-6-11(14)15/h2-5,13H,6-8H2,1H3,(H,14,15)
InChIKeyRTGKHIQICHUMNI-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.71
Rot. Bonds6

About 2-[[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetic acid

2-[[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetic acid (PubChem CID 146503139) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetic acid
PubChem CID146503139
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-[[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetic acid
SMILESCc1ccc(COC(=O)CNCC(=O)O)cc1
InChIInChI=1S/C12H15NO4/c1-9-2-4-10(5-3-9)8-17-12(16)7-13-6-11(14)15/h2-5,13H,6-8H2,1H3,(H,14,15)
InChIKeyRTGKHIQICHUMNI-UHFFFAOYSA-N
XLogP0.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylphenyl)methyl 2-[hydroxy-[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetate
CID 144833958
(2S)-3-methyl-2-[[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]butanoic acid
CID 146503042
(4-methylphenyl)methyl 2-chloroacetate
CID 11275652
1-O-ethyl 4-O-[(4-methylphenyl)methyl] butanedioate
CID 91703852
(4-methylphenyl)methyl 2-(adamantane-1-carbonylamino)acetate
CID 7190613
benzyl (2S)-3-methyl-2-[[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]butanoate
CID 146569172
benzyl 2-[(4-methylphenyl)sulfanylamino]acetate
CID 129047980
(4-chlorophenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate
CID 107437060
(4-methylphenyl)methyl N-aminocarbamate
CID 13494891
benzyl 2-[(2-ethoxy-2-iminoethyl)amino]acetate
CID 170231683
(4-methylphenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate
CID 2601985
benzyl 2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]acetate
CID 26878237

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetic acid (CID 146503139) is 2-[[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetic acid is Cc1ccc(COC(=O)CNCC(=O)O)cc1.
What is the InChIKey of 2-[[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetic acid?
The InChIKey is RTGKHIQICHUMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-9-2-4-10(5-3-9)8-17-12(16)7-13-6-11(14)15/h2-5,13H,6-8H2,1H3,(H,14,15).
What are the key properties of 2-[[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetic acid?
2-[[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetic acid has a molecular weight of 237.25 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 146503139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).