4-[methyl(3-methylbutan-2-yl)amino]oxolane-3-carboxylic acid

C11H21NO3 — CID 66267091

IUPAC4-[methyl(3-methylbutan-2-yl)amino]oxolane-3-carboxylic acid
SMILESCC(C)C(C)N(C)C1COCC1C(=O)O
InChIInChI=1S/C11H21NO3/c1-7(2)8(3)12(4)10-6-15-5-9(10)11(13)14/h7-10H,5-6H2,1-4H3,(H,13,14)
InChIKeyXFTRFGURHWOZRZ-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.06
Rot. Bonds4

About 4-[methyl(3-methylbutan-2-yl)amino]oxolane-3-carboxylic acid

4-[methyl(3-methylbutan-2-yl)amino]oxolane-3-carboxylic acid (PubChem CID 66267091) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-[methyl(3-methylbutan-2-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(3-methylbutan-2-yl)amino]oxolane-3-carboxylic acid
PubChem CID66267091
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-[methyl(3-methylbutan-2-yl)amino]oxolane-3-carboxylic acid
SMILESCC(C)C(C)N(C)C1COCC1C(=O)O
InChIInChI=1S/C11H21NO3/c1-7(2)8(3)12(4)10-6-15-5-9(10)11(13)14/h7-10H,5-6H2,1-4H3,(H,13,14)
InChIKeyXFTRFGURHWOZRZ-UHFFFAOYSA-N
XLogP1.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[methyl(3-methylbutan-2-yl)amino]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-[di(cyclobutyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 112743509
4-[methyl(3-methylbutan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267863
4-methyl-2-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid
CID 63068114
4-[methyl-[2-(propan-2-ylamino)acetyl]amino]oxolane-3-carboxylic acid
CID 66237430
4-[methyl(2-methylpentyl)amino]oxolane-3-carboxylic acid
CID 66236014
4-[methyl-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]amino]oxolane-3-carboxylic acid
CID 66235178
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
CID 66267848
4-[2-cyclopropylpropanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 83146395
4-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]-methylamino]oxolane-3-carboxylic acid
CID 82964251
4-[2-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66238166
4-[methyl-(2-methylcyclopropanecarbonyl)amino]oxolane-3-carboxylic acid
CID 66236548
4-[3-chloroprop-2-enyl(methyl)amino]oxolane-3-carboxylic acid
CID 77135519

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(3-methylbutan-2-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl(3-methylbutan-2-yl)amino]oxolane-3-carboxylic acid (CID 66267091) is 4-[methyl(3-methylbutan-2-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl(3-methylbutan-2-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl(3-methylbutan-2-yl)amino]oxolane-3-carboxylic acid is CC(C)C(C)N(C)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl(3-methylbutan-2-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is XFTRFGURHWOZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7(2)8(3)12(4)10-6-15-5-9(10)11(13)14/h7-10H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 4-[methyl(3-methylbutan-2-yl)amino]oxolane-3-carboxylic acid?
4-[methyl(3-methylbutan-2-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 215.29 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(3-methylbutan-2-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66267091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).