2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-(oxan-4-yl)amino]acetic acid

C17H23NO6 — CID 119211212

IUPAC2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-(oxan-4-yl)amino]acetic acid
SMILESCOc1cc(C)ccc1OCC(=O)N(CC(=O)O)C1CCOCC1
InChIInChI=1S/C17H23NO6/c1-12-3-4-14(15(9-12)22-2)24-11-16(19)18(10-17(20)21)13-5-7-23-8-6-13/h3-4,9,13H,5-8,10-11H2,1-2H3,(H,20,21)
InChIKeyXMYPHKRPCFTREH-UHFFFAOYSA-N
MW337.37 g/mol
LogP1.47
Rot. Bonds7

About 2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-(oxan-4-yl)amino]acetic acid

2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-(oxan-4-yl)amino]acetic acid (PubChem CID 119211212) has the molecular formula C17H23NO6 and a molecular weight of 337.37 g/mol. Its IUPAC name is 2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-(oxan-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-(oxan-4-yl)amino]acetic acid
PubChem CID119211212
Molecular FormulaC17H23NO6
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Name2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-(oxan-4-yl)amino]acetic acid
SMILESCOc1cc(C)ccc1OCC(=O)N(CC(=O)O)C1CCOCC1
InChIInChI=1S/C17H23NO6/c1-12-3-4-14(15(9-12)22-2)24-11-16(19)18(10-17(20)21)13-5-7-23-8-6-13/h3-4,9,13H,5-8,10-11H2,1-2H3,(H,20,21)
InChIKeyXMYPHKRPCFTREH-UHFFFAOYSA-N
XLogP1.47
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-(oxan-4-yl)amino]acetic acid with MolForge

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Related Compounds

2-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid
CID 60825521
2-[cyclopropyl-[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
CID 60826379
2-[(4-cyclopentyloxy-3-methoxybenzoyl)-(oxan-4-yl)amino]acetic acid
CID 126775681
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 112978311
2-(2-methoxy-4-methylphenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119553158
N,N-diethyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 60626763
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-(oxan-4-yl)amino]acetic acid
CID 119211275
2-(2-methoxy-4-methylphenoxy)-N-methyl-N-phenylacetamide
CID 78765522
3-[[2-(2-methylphenoxy)acetyl]-(oxan-4-yl)amino]propanoic acid
CID 119212252
2-[[2-(6-methyl-1H-indol-3-yl)acetyl]-(oxan-4-yl)amino]acetic acid
CID 136515838
3-[3-(2-methoxy-5-methylphenyl)prop-2-enoyl-(oxan-4-yl)amino]propanoic acid
CID 126789602
3-[[2-(3,4-dimethylphenoxy)acetyl]-(oxan-4-yl)amino]propanoic acid
CID 119212286

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-(oxan-4-yl)amino]acetic acid?
The IUPAC name of 2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-(oxan-4-yl)amino]acetic acid (CID 119211212) is 2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-(oxan-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-(oxan-4-yl)amino]acetic acid?
The canonical SMILES for 2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-(oxan-4-yl)amino]acetic acid is COc1cc(C)ccc1OCC(=O)N(CC(=O)O)C1CCOCC1.
What is the InChIKey of 2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-(oxan-4-yl)amino]acetic acid?
The InChIKey is XMYPHKRPCFTREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO6/c1-12-3-4-14(15(9-12)22-2)24-11-16(19)18(10-17(20)21)13-5-7-23-8-6-13/h3-4,9,13H,5-8,10-11H2,1-2H3,(H,20,21).
What are the key properties of 2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-(oxan-4-yl)amino]acetic acid?
2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-(oxan-4-yl)amino]acetic acid has a molecular weight of 337.37 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-(oxan-4-yl)amino]acetic acid is sourced from PubChem (CID 119211212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).