5-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid

C12H22N2O4 — CID 62298899

IUPAC5-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid
SMILESCC(C)NC(=O)CN(C)CC1CCC(C(=O)O)O1
InChIInChI=1S/C12H22N2O4/c1-8(2)13-11(15)7-14(3)6-9-4-5-10(18-9)12(16)17/h8-10H,4-7H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyBRYLTRYYBVZTML-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.08
Rot. Bonds6

About 5-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid

5-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid (PubChem CID 62298899) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid
PubChem CID62298899
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name5-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid
SMILESCC(C)NC(=O)CN(C)CC1CCC(C(=O)O)O1
InChIInChI=1S/C12H22N2O4/c1-8(2)13-11(15)7-14(3)6-9-4-5-10(18-9)12(16)17/h8-10H,4-7H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyBRYLTRYYBVZTML-UHFFFAOYSA-N
XLogP0.08
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]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

5-[[(2-amino-2-oxoethyl)-methylamino]methyl]oxolane-2-carboxylic acid
CID 62298720
5-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]oxolane-2-carboxylic acid
CID 55053936
5-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid
CID 103239200
5-[[butan-2-yl(ethyl)amino]methyl]oxolane-2-carboxylic acid
CID 62298545
(2R,5S)-5-[[ethyl(2-methylpropyl)amino]methyl]oxolane-2-carboxylic acid
CID 165455043
5-[[1-(dimethylamino)propan-2-ylcarbamoylamino]methyl]oxolane-2-carboxylic acid
CID 82938900
5-[[1-cyanopropan-2-yl(methyl)amino]methyl]oxolane-2-carboxylic acid
CID 63223023
5-[(2-methylpropylamino)methyl]oxolane-2-carboxylic acid
CID 103231044
5-[(1-cyclopropylethylamino)methyl]oxolane-2-carboxylic acid
CID 103238552
5-[[methyl(piperidin-4-yl)amino]methyl]oxolane-2-carboxylic acid
CID 55053708
N,2-dimethyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine
CID 113498784
5-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolane-2-carboxylic acid
CID 82951624

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid (CID 62298899) is 5-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid is CC(C)NC(=O)CN(C)CC1CCC(C(=O)O)O1.
What is the InChIKey of 5-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid?
The InChIKey is BRYLTRYYBVZTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-8(2)13-11(15)7-14(3)6-9-4-5-10(18-9)12(16)17/h8-10H,4-7H2,1-3H3,(H,13,15)(H,16,17).
What are the key properties of 5-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid?
5-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 62298899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).