4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]oxolane-3-carboxylic acid

C14H24N2O4 — CID 104967966

IUPAC4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]oxolane-3-carboxylic acid
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-9-5-4-6-10(2)16(9)14(19)15(3)12-8-20-7-11(12)13(17)18/h9-12H,4-8H2,1-3H3,(H,17,18)/t9-,10+,11?,12?
InChIKeyRFYIYGYCACTBGB-ZYANWLCNSA-N
MW284.36 g/mol
LogP1.40
Rot. Bonds2

About 4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]oxolane-3-carboxylic acid

4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]oxolane-3-carboxylic acid (PubChem CID 104967966) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]oxolane-3-carboxylic acid
PubChem CID104967966
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]oxolane-3-carboxylic acid
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-9-5-4-6-10(2)16(9)14(19)15(3)12-8-20-7-11(12)13(17)18/h9-12H,4-8H2,1-3H3,(H,17,18)/t9-,10+,11?,12?
InChIKeyRFYIYGYCACTBGB-ZYANWLCNSA-N
XLogP1.40
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl-(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
CID 107175661
4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266130
4-[(2-ethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66265512
4-[cyclooctanecarbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236752
4-[(3,3-dimethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66266137
4-[methyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66266721
4-[2-cyclopropylpropanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 83146395
4-[methyl-(2-methylcyclopentyl)amino]oxolane-3-carboxylic acid
CID 66267472
4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66265694
4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 102865773
4-[methyl-(2-methylcyclopropanecarbonyl)amino]oxolane-3-carboxylic acid
CID 66236548
4-[di(cyclobutyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 112743509

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]oxolane-3-carboxylic acid (CID 104967966) is 4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]oxolane-3-carboxylic acid is C[C@@H]1CCC[C@H](C)N1C(=O)N(C)C1COCC1C(=O)O.
What is the InChIKey of 4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]oxolane-3-carboxylic acid?
The InChIKey is RFYIYGYCACTBGB-ZYANWLCNSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-9-5-4-6-10(2)16(9)14(19)15(3)12-8-20-7-11(12)13(17)18/h9-12H,4-8H2,1-3H3,(H,17,18)/t9-,10+,11?,12?.
What are the key properties of 4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]oxolane-3-carboxylic acid?
4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]oxolane-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 104967966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).