4-[[2-(dimethylamino)ethyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid

C12H23N3O4 — CID 66267321

IUPAC4-[[2-(dimethylamino)ethyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid
SMILESCN(C)CCN(C)C(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C12H23N3O4/c1-13(2)5-6-14(3)12(18)15(4)10-8-19-7-9(10)11(16)17/h9-10H,5-8H2,1-4H3,(H,16,17)
InChIKeyRRJQZCOAJYTCKO-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.37
Rot. Bonds5

About 4-[[2-(dimethylamino)ethyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid

4-[[2-(dimethylamino)ethyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid (PubChem CID 66267321) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)ethyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(dimethylamino)ethyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid
PubChem CID66267321
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name4-[[2-(dimethylamino)ethyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid
SMILESCN(C)CCN(C)C(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C12H23N3O4/c1-13(2)5-6-14(3)12(18)15(4)10-8-19-7-9(10)11(16)17/h9-10H,5-8H2,1-4H3,(H,16,17)
InChIKeyRRJQZCOAJYTCKO-UHFFFAOYSA-N
XLogP-0.37
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(dimethylamino)ethyl-methylcarbamoyl]-methylamino]oxolane-3-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-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 114950868
4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 102865773
4-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66267520
4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66265733
4-[methyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66266721
4-[methyl-[2-methylpropyl(propan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66266524
4-[[butan-2-yl(butyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66266526
4-[methyl-(2-methylcyclopropanecarbonyl)amino]oxolane-3-carboxylic acid
CID 66236548
4-[[2-cyanoethyl(methyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid
CID 66251544
4-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66267114
4-[ethyl-[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66246552
4-[[2-ethoxyethyl(methyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid
CID 81037296

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)ethyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[2-(dimethylamino)ethyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid (CID 66267321) is 4-[[2-(dimethylamino)ethyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(dimethylamino)ethyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[2-(dimethylamino)ethyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid is CN(C)CCN(C)C(=O)N(C)C1COCC1C(=O)O.
What is the InChIKey of 4-[[2-(dimethylamino)ethyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid?
The InChIKey is RRJQZCOAJYTCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-13(2)5-6-14(3)12(18)15(4)10-8-19-7-9(10)11(16)17/h9-10H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 4-[[2-(dimethylamino)ethyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid?
4-[[2-(dimethylamino)ethyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of -0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)ethyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66267321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).