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

C13H23NO5 — CID 155893424

IUPAC4-hydroxy-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(O)(C(=O)O)CC1(C)C
InChIInChI=1S/C13H23NO5/c1-11(2,3)19-10(17)14-7-6-13(18,9(15)16)8-12(14,4)5/h18H,6-8H2,1-5H3,(H,15,16)
InChIKeyJFIQYQAINIJLPG-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.61
Rot. Bonds1

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

4-hydroxy-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (PubChem CID 155893424) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-hydroxy-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
PubChem CID155893424
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name4-hydroxy-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(O)(C(=O)O)CC1(C)C
InChIInChI=1S/C13H23NO5/c1-11(2,3)19-10(17)14-7-6-13(18,9(15)16)8-12(14,4)5/h18H,6-8H2,1-5H3,(H,15,16)
InChIKeyJFIQYQAINIJLPG-UHFFFAOYSA-N
XLogP1.61
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 155893247
tert-butyl 9-amino-4,4-dimethyl-3-azaspiro[5.5]undecane-3-carboxylate
CID 155895421
2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 22556536
tert-butyl 3-hydroxy-7,7-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 164648021
(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 27281688
2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 42614787
tert-butyl 3,3-dimethylthiomorpholine-4-carboxylate
CID 67034878
ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 142839957
tert-butyl 6-ethynyl-6-methyl-1-azaspiro[3.3]heptane-1-carboxylate
CID 170917651
(2R)-2-iodo-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 134421765
tert-butyl 2,2-dimethylpiperazine-1-carboxylate;hydrochloride
CID 71607196
tert-butyl 7-tert-butyl-1,7-diazaspiro[3.5]nonane-1-carboxylate
CID 134506707

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (CID 155893424) is 4-hydroxy-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is CC(C)(C)OC(=O)N1CCC(O)(C(=O)O)CC1(C)C.
What is the InChIKey of 4-hydroxy-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The InChIKey is JFIQYQAINIJLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-11(2,3)19-10(17)14-7-6-13(18,9(15)16)8-12(14,4)5/h18H,6-8H2,1-5H3,(H,15,16).
What are the key properties of 4-hydroxy-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
4-hydroxy-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 155893424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).