(2S,4R)-1,2-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

C16H27NO6 — CID 122163878

IUPAC(2S,4R)-1,2-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)[C@@H]1C[C@H](C(=O)O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H27NO6/c1-15(2,3)22-13(20)11-9-10(12(18)19)7-8-17(11)14(21)23-16(4,5)6/h10-11H,7-9H2,1-6H3,(H,18,19)/t10-,11+/m1/s1
InChIKeyGPAAMZCGXUULTF-MNOVXSKESA-N
MW329.39 g/mol
LogP2.43
Rot. Bonds2

About (2S,4R)-1,2-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

(2S,4R)-1,2-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (PubChem CID 122163878) has the molecular formula C16H27NO6 and a molecular weight of 329.39 g/mol. Its IUPAC name is (2S,4R)-1,2-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1,2-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
PubChem CID122163878
Molecular FormulaC16H27NO6
Molecular Weight329.39 g/mol
Exact Mass329.18
IUPAC Name(2S,4R)-1,2-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)[C@@H]1C[C@H](C(=O)O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H27NO6/c1-15(2,3)22-13(20)11-9-10(12(18)19)7-8-17(11)14(21)23-16(4,5)6/h10-11H,7-9H2,1-6H3,(H,18,19)/t10-,11+/m1/s1
InChIKeyGPAAMZCGXUULTF-MNOVXSKESA-N
XLogP2.43
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1,2-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The IUPAC name of (2S,4R)-1,2-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (CID 122163878) is (2S,4R)-1,2-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for (2S,4R)-1,2-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for (2S,4R)-1,2-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is CC(C)(C)OC(=O)[C@@H]1C[C@H](C(=O)O)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of (2S,4R)-1,2-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The InChIKey is GPAAMZCGXUULTF-MNOVXSKESA-N. The full InChI is InChI=1S/C16H27NO6/c1-15(2,3)22-13(20)11-9-10(12(18)19)7-8-17(11)14(21)23-16(4,5)6/h10-11H,7-9H2,1-6H3,(H,18,19)/t10-,11+/m1/s1.
What are the key properties of (2S,4R)-1,2-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
(2S,4R)-1,2-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid has a molecular weight of 329.39 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1,2-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122163878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).