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

C14H25NO4 — CID 66267670

IUPAC4-[methyl-(2-propan-2-yloxan-4-yl)amino]oxolane-3-carboxylic acid
SMILESCC(C)C1CC(N(C)C2COCC2C(=O)O)CCO1
InChIInChI=1S/C14H25NO4/c1-9(2)13-6-10(4-5-19-13)15(3)12-8-18-7-11(12)14(16)17/h9-13H,4-8H2,1-3H3,(H,16,17)
InChIKeyXIRSZKMLHDAJCK-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.22
Rot. Bonds4

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

4-[methyl-(2-propan-2-yloxan-4-yl)amino]oxolane-3-carboxylic acid (PubChem CID 66267670) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[methyl-(2-propan-2-yloxan-4-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-(2-propan-2-yloxan-4-yl)amino]oxolane-3-carboxylic acid
PubChem CID66267670
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name4-[methyl-(2-propan-2-yloxan-4-yl)amino]oxolane-3-carboxylic acid
SMILESCC(C)C1CC(N(C)C2COCC2C(=O)O)CCO1
InChIInChI=1S/C14H25NO4/c1-9(2)13-6-10(4-5-19-13)15(3)12-8-18-7-11(12)14(16)17/h9-13H,4-8H2,1-3H3,(H,16,17)
InChIKeyXIRSZKMLHDAJCK-UHFFFAOYSA-N
XLogP1.22
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-[3-(2-methylpropyl)cyclohexyl]amino]oxolane-3-carboxylic acid
CID 107430466
4-[(3-methoxycyclohexyl)-methylamino]oxolane-3-carboxylic acid
CID 66237410
4-[(4,4-dimethylcyclohexyl)-methylamino]oxolane-3-carboxylic acid
CID 66267283
4-[methyl-(2-methylcyclopentyl)amino]oxolane-3-carboxylic acid
CID 66267472
4-[methyl(3-methylbutan-2-yl)amino]oxolane-3-carboxylic acid
CID 66267091
4-[(2-hydroxycycloheptyl)-methylamino]oxolane-3-carboxylic acid
CID 66238217
4-[2-cyclopropylpropanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 83146395
2-[butan-2-yl-(2-propan-2-yloxan-4-yl)amino]acetic acid
CID 65058078
4-methyl-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carboxylic acid
CID 55148435
4-[methyl-(2-methylcyclopropanecarbonyl)amino]oxolane-3-carboxylic acid
CID 66236548
[(2R,4R)-2-propan-2-yloxan-4-yl] N,N-dimethylcarbamate
CID 170384040
4-[di(cyclobutyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 112743509

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(2-propan-2-yloxan-4-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl-(2-propan-2-yloxan-4-yl)amino]oxolane-3-carboxylic acid (CID 66267670) is 4-[methyl-(2-propan-2-yloxan-4-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl-(2-propan-2-yloxan-4-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl-(2-propan-2-yloxan-4-yl)amino]oxolane-3-carboxylic acid is CC(C)C1CC(N(C)C2COCC2C(=O)O)CCO1.
What is the InChIKey of 4-[methyl-(2-propan-2-yloxan-4-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is XIRSZKMLHDAJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-9(2)13-6-10(4-5-19-13)15(3)12-8-18-7-11(12)14(16)17/h9-13H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 4-[methyl-(2-propan-2-yloxan-4-yl)amino]oxolane-3-carboxylic acid?
4-[methyl-(2-propan-2-yloxan-4-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(2-propan-2-yloxan-4-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66267670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).