(3R,4R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

C11H19NO5 — CID 15355611

IUPAC(3R,4R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)[C@@H](O)C1
InChIInChI=1S/C11H19NO5/c1-11(2,3)17-10(16)12-5-4-7(9(14)15)8(13)6-12/h7-8,13H,4-6H2,1-3H3,(H,14,15)/t7-,8+/m1/s1
InChIKeyRIZCQEWQJRFDHL-SFYZADRCSA-N
MW245.27 g/mol
LogP0.69
Rot. Bonds1

About (3R,4R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

(3R,4R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (PubChem CID 15355611) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is (3R,4R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
PubChem CID15355611
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name(3R,4R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)[C@@H](O)C1
InChIInChI=1S/C11H19NO5/c1-11(2,3)17-10(16)12-5-4-7(9(14)15)8(13)6-12/h7-8,13H,4-6H2,1-3H3,(H,14,15)/t7-,8+/m1/s1
InChIKeyRIZCQEWQJRFDHL-SFYZADRCSA-N
XLogP0.69
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The IUPAC name of (3R,4R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (CID 15355611) is (3R,4R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for (3R,4R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for (3R,4R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)[C@@H](O)C1.
What is the InChIKey of (3R,4R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The InChIKey is RIZCQEWQJRFDHL-SFYZADRCSA-N. The full InChI is InChI=1S/C11H19NO5/c1-11(2,3)17-10(16)12-5-4-7(9(14)15)8(13)6-12/h7-8,13H,4-6H2,1-3H3,(H,14,15)/t7-,8+/m1/s1.
What are the key properties of (3R,4R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
(3R,4R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid has a molecular weight of 245.27 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 15355611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).