(3S,5S)-5-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid

C15H27NO4 — CID 164641315

IUPAC(3S,5S)-5-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[C@@H](C(=O)O)C[C@@H](C(C)(C)C)C1
InChIInChI=1S/C15H27NO4/c1-14(2,3)11-7-10(12(17)18)8-16(9-11)13(19)20-15(4,5)6/h10-11H,7-9H2,1-6H3,(H,17,18)/t10-,11+/m0/s1
InChIKeyPOVQYQNPYGOQKD-WDEREUQCSA-N
MW285.38 g/mol
LogP2.99
Rot. Bonds1

About (3S,5S)-5-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid

(3S,5S)-5-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid (PubChem CID 164641315) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is (3S,5S)-5-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,5S)-5-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
PubChem CID164641315
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name(3S,5S)-5-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[C@@H](C(=O)O)C[C@@H](C(C)(C)C)C1
InChIInChI=1S/C15H27NO4/c1-14(2,3)11-7-10(12(17)18)8-16(9-11)13(19)20-15(4,5)6/h10-11H,7-9H2,1-6H3,(H,17,18)/t10-,11+/m0/s1
InChIKeyPOVQYQNPYGOQKD-WDEREUQCSA-N
XLogP2.99
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S,5S)-5-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid (CID 164641315) is (3S,5S)-5-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S,5S)-5-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S,5S)-5-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid is CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)C[C@@H](C(C)(C)C)C1.
What is the InChIKey of (3S,5S)-5-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?
The InChIKey is POVQYQNPYGOQKD-WDEREUQCSA-N. The full InChI is InChI=1S/C15H27NO4/c1-14(2,3)11-7-10(12(17)18)8-16(9-11)13(19)20-15(4,5)6/h10-11H,7-9H2,1-6H3,(H,17,18)/t10-,11+/m0/s1.
What are the key properties of (3S,5S)-5-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?
(3S,5S)-5-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid has a molecular weight of 285.38 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 164641315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).