5-[[[2-(benzylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid

C15H20N2O4 — CID 103240668

IUPAC5-[[[2-(benzylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid
SMILESO=C(CNCC1CCC(C(=O)O)O1)NCc1ccccc1
InChIInChI=1S/C15H20N2O4/c18-14(17-8-11-4-2-1-3-5-11)10-16-9-12-6-7-13(21-12)15(19)20/h1-5,12-13,16H,6-10H2,(H,17,18)(H,19,20)
InChIKeyFTURTALWRXROSN-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.52
Rot. Bonds7

About 5-[[[2-(benzylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid

5-[[[2-(benzylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid (PubChem CID 103240668) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 5-[[[2-(benzylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-(benzylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid
PubChem CID103240668
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name5-[[[2-(benzylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid
SMILESO=C(CNCC1CCC(C(=O)O)O1)NCc1ccccc1
InChIInChI=1S/C15H20N2O4/c18-14(17-8-11-4-2-1-3-5-11)10-16-9-12-6-7-13(21-12)15(19)20/h1-5,12-13,16H,6-10H2,(H,17,18)(H,19,20)
InChIKeyFTURTALWRXROSN-UHFFFAOYSA-N
XLogP0.52
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[[[2-(benzylamino)-2-oxoethyl]amino]methyl]oxolane-2-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

(2S)-2-(oxolane-2-carbonylamino)-3-phenylpropanoic acid
CID 22093362
(2R,4S,5R)-N-benzhydryl-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxamide
CID 155562611
N-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-methylacetamide
CID 40781615
N-(2-amino-2-oxoethyl)-N-benzyloxolane-2-carboxamide
CID 60304016
(2S,3S,5S)-5-[benzyl(2-methylprop-2-enyl)carbamoyl]-3-methyloxolane-2-carboxylic acid
CID 164638073
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (2S)-oxolane-2-carboxylate
CID 8175494
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (2R)-oxolane-2-carboxylate
CID 8175495
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-oxolane-2-carboxylate
CID 8808247
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2R)-oxolane-2-carboxylate
CID 8808248
5-[[(4-Fluorophenyl)methylcarbamoylamino]methyl]oxolane-2-carboxylic acid
CID 80002051
5-[[(2-Fluorophenyl)methylcarbamoylamino]methyl]oxolane-2-carboxylic acid
CID 80002054
5-[[(3-Fluorophenyl)methylcarbamoylamino]methyl]oxolane-2-carboxylic acid
CID 80002245

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(benzylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[[2-(benzylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid (CID 103240668) is 5-[[[2-(benzylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-(benzylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[[2-(benzylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid is O=C(CNCC1CCC(C(=O)O)O1)NCc1ccccc1.
What is the InChIKey of 5-[[[2-(benzylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid?
The InChIKey is FTURTALWRXROSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-14(17-8-11-4-2-1-3-5-11)10-16-9-12-6-7-13(21-12)15(19)20/h1-5,12-13,16H,6-10H2,(H,17,18)(H,19,20).
What are the key properties of 5-[[[2-(benzylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid?
5-[[[2-(benzylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(benzylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 103240668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).