1-[[(3S,4S)-4-methoxyoxolan-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid

C13H22N2O5 — CID 122124143

IUPAC1-[[(3S,4S)-4-methoxyoxolan-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCO[C@@H]1COC[C@@H]1NC(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C13H22N2O5/c1-8-3-9(12(16)17)5-15(4-8)13(18)14-10-6-20-7-11(10)19-2/h8-11H,3-7H2,1-2H3,(H,14,18)(H,16,17)/t8?,9?,10-,11+/m0/s1
InChIKeyHEDBGLJRDUOXKB-WFBLGPOFSA-N
MW286.33 g/mol
LogP0.15
Rot. Bonds3

About 1-[[(3S,4S)-4-methoxyoxolan-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[[(3S,4S)-4-methoxyoxolan-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122124143) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[[(3S,4S)-4-methoxyoxolan-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[(3S,4S)-4-methoxyoxolan-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122124143
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name1-[[(3S,4S)-4-methoxyoxolan-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCO[C@@H]1COC[C@@H]1NC(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C13H22N2O5/c1-8-3-9(12(16)17)5-15(4-8)13(18)14-10-6-20-7-11(10)19-2/h8-11H,3-7H2,1-2H3,(H,14,18)(H,16,17)/t8?,9?,10-,11+/m0/s1
InChIKeyHEDBGLJRDUOXKB-WFBLGPOFSA-N
XLogP0.15
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid
CID 122123028
5-methyl-1-[(2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 122122689
1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122016523
1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123524
1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124059
5-methyl-1-(5-oxaspiro[3.5]nonan-8-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122123211
1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]piperidine-4-carboxylic acid
CID 122016519
5-methyl-1-(3-methylbutan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122121872
5-methyl-1-[(4-methylcyclohexyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122424
5-methyl-1-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122122869
1-(4-methoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122197
5-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122122872

Frequently Asked Questions

What is the IUPAC name of 1-[[(3S,4S)-4-methoxyoxolan-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[[(3S,4S)-4-methoxyoxolan-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122124143) is 1-[[(3S,4S)-4-methoxyoxolan-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[(3S,4S)-4-methoxyoxolan-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[[(3S,4S)-4-methoxyoxolan-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid is CO[C@@H]1COC[C@@H]1NC(=O)N1CC(C)CC(C(=O)O)C1.
What is the InChIKey of 1-[[(3S,4S)-4-methoxyoxolan-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is HEDBGLJRDUOXKB-WFBLGPOFSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-8-3-9(12(16)17)5-15(4-8)13(18)14-10-6-20-7-11(10)19-2/h8-11H,3-7H2,1-2H3,(H,14,18)(H,16,17)/t8?,9?,10-,11+/m0/s1.
What are the key properties of 1-[[(3S,4S)-4-methoxyoxolan-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[[(3S,4S)-4-methoxyoxolan-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S,4S)-4-methoxyoxolan-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122124143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).