5-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]oxolane-2-carboxylic acid

C15H20N2O4 — CID 106312530

IUPAC5-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]oxolane-2-carboxylic acid
SMILESCc1ccc(C(N)C(=O)NCC2CCC(C(=O)O)O2)cc1
InChIInChI=1S/C15H20N2O4/c1-9-2-4-10(5-3-9)13(16)14(18)17-8-11-6-7-12(21-11)15(19)20/h2-5,11-13H,6-8,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyIQAMOROJAFALOY-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.74
Rot. Bonds5

About 5-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]oxolane-2-carboxylic acid

5-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]oxolane-2-carboxylic acid (PubChem CID 106312530) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]oxolane-2-carboxylic acid
PubChem CID106312530
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name5-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]oxolane-2-carboxylic acid
SMILESCc1ccc(C(N)C(=O)NCC2CCC(C(=O)O)O2)cc1
InChIInChI=1S/C15H20N2O4/c1-9-2-4-10(5-3-9)13(16)14(18)17-8-11-6-7-12(21-11)15(19)20/h2-5,11-13H,6-8,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyIQAMOROJAFALOY-UHFFFAOYSA-N
XLogP0.74
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]oxolane-2-carboxamide
CID 120669246
2-amino-N-[(3-methylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide
CID 106151415
2-amino-N-[(4-methylmorpholin-2-yl)methyl]-2-(4-methylphenyl)acetamide
CID 106312498
2-amino-N-(2-cyclopropylethyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668581
2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2-(4-methylphenyl)acetamide
CID 106151685
2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668147
2-amino-2-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 120669772
2-amino-2-(4-methylphenyl)-N-[2-(4-methylphenyl)propyl]acetamide
CID 120668682
2-amino-2-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 120669400
2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018
2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)acetamide
CID 106151324
2-amino-N-(3-cyclohexyloxypropyl)-2-(4-methylphenyl)acetamide
CID 120666811

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]oxolane-2-carboxylic acid (CID 106312530) is 5-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]oxolane-2-carboxylic acid is Cc1ccc(C(N)C(=O)NCC2CCC(C(=O)O)O2)cc1.
What is the InChIKey of 5-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]oxolane-2-carboxylic acid?
The InChIKey is IQAMOROJAFALOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9-2-4-10(5-3-9)13(16)14(18)17-8-11-6-7-12(21-11)15(19)20/h2-5,11-13H,6-8,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]oxolane-2-carboxylic acid?
5-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]oxolane-2-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 106312530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).