4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]oxane-4-carboxylic acid

C16H21NO5 — CID 120541531

IUPAC4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]oxane-4-carboxylic acid
SMILESCOc1cccc(CC(=O)NCC2(C(=O)O)CCOCC2)c1
InChIInChI=1S/C16H21NO5/c1-21-13-4-2-3-12(9-13)10-14(18)17-11-16(15(19)20)5-7-22-8-6-16/h2-4,9H,5-8,10-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyAIVNPSHSQAMTPO-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.24
Rot. Bonds6

About 4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]oxane-4-carboxylic acid

4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]oxane-4-carboxylic acid (PubChem CID 120541531) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]oxane-4-carboxylic acid
PubChem CID120541531
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]oxane-4-carboxylic acid
SMILESCOc1cccc(CC(=O)NCC2(C(=O)O)CCOCC2)c1
InChIInChI=1S/C16H21NO5/c1-21-13-4-2-3-12(9-13)10-14(18)17-11-16(15(19)20)5-7-22-8-6-16/h2-4,9H,5-8,10-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyAIVNPSHSQAMTPO-UHFFFAOYSA-N
XLogP1.24
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]oxane-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120690089
4-[[[2-(3-fluorophenyl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 115438203
4-[[2-[(3-methoxyphenyl)methoxy]propanoylamino]methyl]oxane-4-carboxylic acid
CID 120541639
N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 64866121
4-[[[2-(3-acetylphenoxy)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120541544
4-[[3-(3-bromophenyl)propanoylamino]methyl]oxane-4-carboxylic acid
CID 120543231
1-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544351
4-[[3-(4-methoxyphenyl)pentanoylamino]methyl]oxane-4-carboxylic acid
CID 120690092
4-[[5-(3-methylphenoxy)pentanoylamino]methyl]oxane-4-carboxylic acid
CID 120541660
N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-(3-methoxyphenyl)acetamide
CID 91631285
1-[[(2-phenylacetyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449471
4-[[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120542026

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]oxane-4-carboxylic acid (CID 120541531) is 4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]oxane-4-carboxylic acid is COc1cccc(CC(=O)NCC2(C(=O)O)CCOCC2)c1.
What is the InChIKey of 4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]oxane-4-carboxylic acid?
The InChIKey is AIVNPSHSQAMTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-21-13-4-2-3-12(9-13)10-14(18)17-11-16(15(19)20)5-7-22-8-6-16/h2-4,9H,5-8,10-11H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]oxane-4-carboxylic acid?
4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]oxane-4-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 120541531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).