5-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]oxolane-2-carboxylic acid

C12H22N2O5 — CID 55053936

IUPAC5-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]oxolane-2-carboxylic acid
SMILESCOCCNC(=O)CN(C)CC1CCC(C(=O)O)O1
InChIInChI=1S/C12H22N2O5/c1-14(8-11(15)13-5-6-18-2)7-9-3-4-10(19-9)12(16)17/h9-10H,3-8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyZTCXXZVPOZFBSS-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.69
Rot. Bonds8

About 5-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]oxolane-2-carboxylic acid

5-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]oxolane-2-carboxylic acid (PubChem CID 55053936) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]oxolane-2-carboxylic acid
PubChem CID55053936
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name5-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]oxolane-2-carboxylic acid
SMILESCOCCNC(=O)CN(C)CC1CCC(C(=O)O)O1
InChIInChI=1S/C12H22N2O5/c1-14(8-11(15)13-5-6-18-2)7-9-3-4-10(19-9)12(16)17/h9-10H,3-8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyZTCXXZVPOZFBSS-UHFFFAOYSA-N
XLogP-0.69
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid
CID 62298899
5-[[(2-amino-2-oxoethyl)-methylamino]methyl]oxolane-2-carboxylic acid
CID 62298720
5-[[ethyl(2-methoxyethyl)amino]methyl]oxolane-2-carboxylic acid
CID 62298724
5-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolane-2-carboxylic acid
CID 82951624
5-[[2-methoxyethyl(methyl)amino]methyl]oxolane-2-carbohydrazide
CID 63577680
2-[cyclohexyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-(2-methoxyethyl)acetamide
CID 43067877
2-[acetyl(cyclohexyl)amino]-N-(2-methoxyethyl)acetamide
CID 113159416
3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-2,2-dimethylpropanoic acid
CID 79619625
2-[3,3-dimethylbutyl(methyl)amino]-N-(2-methoxyethyl)acetamide;ethane
CID 177054890
cis-(1S,2R)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93378992
5-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688076
2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 54875764

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]oxolane-2-carboxylic acid (CID 55053936) is 5-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]oxolane-2-carboxylic acid is COCCNC(=O)CN(C)CC1CCC(C(=O)O)O1.
What is the InChIKey of 5-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]oxolane-2-carboxylic acid?
The InChIKey is ZTCXXZVPOZFBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-14(8-11(15)13-5-6-18-2)7-9-3-4-10(19-9)12(16)17/h9-10H,3-8H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 5-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]oxolane-2-carboxylic acid?
5-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]oxolane-2-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of -0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 55053936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).