5-(3,5-dimethylpiperidine-1-carbonyl)oxolane-2-carboxylic acid

C13H21NO4 — CID 102687444

IUPAC5-(3,5-dimethylpiperidine-1-carbonyl)oxolane-2-carboxylic acid
SMILESCC1CC(C)CN(C(=O)C2CCC(C(=O)O)O2)C1
InChIInChI=1S/C13H21NO4/c1-8-5-9(2)7-14(6-8)12(15)10-3-4-11(18-10)13(16)17/h8-11H,3-7H2,1-2H3,(H,16,17)
InChIKeyIDDZAVMPBIGYNR-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.12
Rot. Bonds2

About 5-(3,5-dimethylpiperidine-1-carbonyl)oxolane-2-carboxylic acid

5-(3,5-dimethylpiperidine-1-carbonyl)oxolane-2-carboxylic acid (PubChem CID 102687444) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperidine-1-carbonyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-(3,5-dimethylpiperidine-1-carbonyl)oxolane-2-carboxylic acid
PubChem CID102687444
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name5-(3,5-dimethylpiperidine-1-carbonyl)oxolane-2-carboxylic acid
SMILESCC1CC(C)CN(C(=O)C2CCC(C(=O)O)O2)C1
InChIInChI=1S/C13H21NO4/c1-8-5-9(2)7-14(6-8)12(15)10-3-4-11(18-10)13(16)17/h8-11H,3-7H2,1-2H3,(H,16,17)
InChIKeyIDDZAVMPBIGYNR-UHFFFAOYSA-N
XLogP1.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-methylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688295
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 120782805
(2R,5S)-5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]oxolane-2-carboxylic acid
CID 107214293
5-(2-methyl-1,4-oxazepane-4-carbonyl)oxolane-2-carboxylic acid
CID 102688484
5-(morpholine-4-carbonyl)oxolane-2-carboxylic acid
CID 102687423
(2R,5S)-5-(4-acetyl-1,4-diazepane-1-carbonyl)oxolane-2-carboxylic acid
CID 102945101
(2R,5S)-5-(4-aminopiperidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102945045
(2R,5S)-5-(4-propan-2-ylpiperazine-1-carbonyl)oxolane-2-carboxylic acid
CID 102944528
5-(3-methoxycarbonylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688728
(2S,5R)-5-[(3,5-dimethylpiperidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 178198064
5-(3-acetamidopyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688903
(2R,5S)-oxolane-2,5-dicarboxylic acid
CID 12667635

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperidine-1-carbonyl)oxolane-2-carboxylic acid?
The IUPAC name of 5-(3,5-dimethylpiperidine-1-carbonyl)oxolane-2-carboxylic acid (CID 102687444) is 5-(3,5-dimethylpiperidine-1-carbonyl)oxolane-2-carboxylic acid.
What is the SMILES notation for 5-(3,5-dimethylpiperidine-1-carbonyl)oxolane-2-carboxylic acid?
The canonical SMILES for 5-(3,5-dimethylpiperidine-1-carbonyl)oxolane-2-carboxylic acid is CC1CC(C)CN(C(=O)C2CCC(C(=O)O)O2)C1.
What is the InChIKey of 5-(3,5-dimethylpiperidine-1-carbonyl)oxolane-2-carboxylic acid?
The InChIKey is IDDZAVMPBIGYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-8-5-9(2)7-14(6-8)12(15)10-3-4-11(18-10)13(16)17/h8-11H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 5-(3,5-dimethylpiperidine-1-carbonyl)oxolane-2-carboxylic acid?
5-(3,5-dimethylpiperidine-1-carbonyl)oxolane-2-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpiperidine-1-carbonyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102687444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).