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

C11H19NO5 — CID 162368053

IUPAC(2R,4S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)[C@H]1C[C@@H](O)CCN1C(=O)O
InChIInChI=1S/C11H19NO5/c1-11(2,3)17-9(14)8-6-7(13)4-5-12(8)10(15)16/h7-8,13H,4-6H2,1-3H3,(H,15,16)/t7-,8+/m0/s1
InChIKeyRBQMZEMYLZQEBV-JGVFFNPUSA-N
MW245.27 g/mol
LogP0.83
Rot. Bonds1

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

(2R,4S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid (PubChem CID 162368053) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is (2R,4S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
PubChem CID162368053
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name(2R,4S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)[C@H]1C[C@@H](O)CCN1C(=O)O
InChIInChI=1S/C11H19NO5/c1-11(2,3)17-9(14)8-6-7(13)4-5-12(8)10(15)16/h7-8,13H,4-6H2,1-3H3,(H,15,16)/t7-,8+/m0/s1
InChIKeyRBQMZEMYLZQEBV-JGVFFNPUSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,4S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid with MolForge

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Related Compounds

1-O-tert-butyl 2-O-methyl (2R,4S)-4-hydroxypiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypiperidine-1,2-dicarboxylate
CID 172878152
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid
CID 13299703
tert-butyl 4-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate
CID 67539858
ditert-butyl azetidine-1,2-dicarboxylate
CID 14821737
tert-butyl (2R,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 18653318
ditert-butyl (2S)-4-aminopiperidine-1,2-dicarboxylate
CID 90070662
1-O-tert-butyl 2-O-methyl 4-methylpiperidine-1,2-dicarboxylate
CID 21032095
4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;phenylmethanamine
CID 67241177
(2S,4S)-1-acetyl-4-hydroxypiperidine-2-carboxylic acid
CID 178194554
2-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120977117
tert-butyl (2S,4S)-4-hydroxypiperidine-2-carboxylate
CID 96845258
(4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 58822358

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid?
The IUPAC name of (2R,4S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid (CID 162368053) is (2R,4S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid.
What is the SMILES notation for (2R,4S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid?
The canonical SMILES for (2R,4S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid is CC(C)(C)OC(=O)[C@H]1C[C@@H](O)CCN1C(=O)O.
What is the InChIKey of (2R,4S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid?
The InChIKey is RBQMZEMYLZQEBV-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H19NO5/c1-11(2,3)17-9(14)8-6-7(13)4-5-12(8)10(15)16/h7-8,13H,4-6H2,1-3H3,(H,15,16)/t7-,8+/m0/s1.
What are the key properties of (2R,4S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid?
(2R,4S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid has a molecular weight of 245.27 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 162368053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).