1-[(2-methylpropan-2-yl)oxycarbonyl]-2-piperidin-3-ylpiperidine-2,3-dicarboxylic acid

C17H28N2O6 — CID 118878670

IUPAC1-[(2-methylpropan-2-yl)oxycarbonyl]-2-piperidin-3-ylpiperidine-2,3-dicarboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)O)C1(C(=O)O)C1CCCNC1
InChIInChI=1S/C17H28N2O6/c1-16(2,3)25-15(24)19-9-5-7-12(13(20)21)17(19,14(22)23)11-6-4-8-18-10-11/h11-12,18H,4-10H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyONOBFMMZOLIYAY-UHFFFAOYSA-N
MW356.42 g/mol
LogP1.54
Rot. Bonds3

About 1-[(2-methylpropan-2-yl)oxycarbonyl]-2-piperidin-3-ylpiperidine-2,3-dicarboxylic acid

1-[(2-methylpropan-2-yl)oxycarbonyl]-2-piperidin-3-ylpiperidine-2,3-dicarboxylic acid (PubChem CID 118878670) has the molecular formula C17H28N2O6 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxycarbonyl]-2-piperidin-3-ylpiperidine-2,3-dicarboxylic acid.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxycarbonyl]-2-piperidin-3-ylpiperidine-2,3-dicarboxylic acid
PubChem CID118878670
Molecular FormulaC17H28N2O6
Molecular Weight356.42 g/mol
Exact Mass356.19
IUPAC Name1-[(2-methylpropan-2-yl)oxycarbonyl]-2-piperidin-3-ylpiperidine-2,3-dicarboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)O)C1(C(=O)O)C1CCCNC1
InChIInChI=1S/C17H28N2O6/c1-16(2,3)25-15(24)19-9-5-7-12(13(20)21)17(19,14(22)23)11-6-4-8-18-10-11/h11-12,18H,4-10H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyONOBFMMZOLIYAY-UHFFFAOYSA-N
XLogP1.54
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(2-methylpropan-2-yl)oxycarbonyl]-2-piperidin-3-ylpiperidine-2,3-dicarboxylic acid with MolForge

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Related Compounds

(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;(3S)-piperidine-3-carboxylic acid
CID 167543627
tert-butyl (2S)-2-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate
CID 28818782
tert-butyl 4-[(3S)-piperidin-3-yl]piperidine-1-carboxylate
CID 96536723
tert-butyl 1-methyl-2,8-diazabicyclo[5.2.0]nonane-2-carboxylate
CID 130114811
1-O-tert-butyl 3-O-ethyl (3R)-piperidine-1,3-dicarboxylate;ethyl (3R)-piperidine-3-carboxylate
CID 158843375
bis(tert-butyl 4-(piperidin-3-ylmethyl)piperazine-1-carboxylate);oxalic acid
CID 56773553
tert-butyl 3-(piperidin-3-ylamino)piperidine-1-carboxylate
CID 107241492
tert-butyl (3S)-3-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate
CID 97298298
bis(tert-butyl 2,6-diazaspiro[4.5]decane-6-carboxylate);oxalic acid
CID 91800935
tert-butyl 4-(piperidin-3-ylamino)piperidine-1-carboxylate
CID 107241648
2-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 175733208
3-ethenyl-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 155270854

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-2-piperidin-3-ylpiperidine-2,3-dicarboxylic acid?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-2-piperidin-3-ylpiperidine-2,3-dicarboxylic acid (CID 118878670) is 1-[(2-methylpropan-2-yl)oxycarbonyl]-2-piperidin-3-ylpiperidine-2,3-dicarboxylic acid.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxycarbonyl]-2-piperidin-3-ylpiperidine-2,3-dicarboxylic acid?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxycarbonyl]-2-piperidin-3-ylpiperidine-2,3-dicarboxylic acid is CC(C)(C)OC(=O)N1CCCC(C(=O)O)C1(C(=O)O)C1CCCNC1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxycarbonyl]-2-piperidin-3-ylpiperidine-2,3-dicarboxylic acid?
The InChIKey is ONOBFMMZOLIYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O6/c1-16(2,3)25-15(24)19-9-5-7-12(13(20)21)17(19,14(22)23)11-6-4-8-18-10-11/h11-12,18H,4-10H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 1-[(2-methylpropan-2-yl)oxycarbonyl]-2-piperidin-3-ylpiperidine-2,3-dicarboxylic acid?
1-[(2-methylpropan-2-yl)oxycarbonyl]-2-piperidin-3-ylpiperidine-2,3-dicarboxylic acid has a molecular weight of 356.42 g/mol, XLogP of 1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxycarbonyl]-2-piperidin-3-ylpiperidine-2,3-dicarboxylic acid is sourced from PubChem (CID 118878670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).