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

C11H19NO5 — CID 71779240

IUPAC3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCC(O)(C(=O)O)C1
InChIInChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-6-4-5-11(16,7-12)8(13)14/h16H,4-7H2,1-3H3,(H,13,14)
InChIKeyANMQQEWQWWIFEP-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.83
Rot. Bonds1

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

3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid (PubChem CID 71779240) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
PubChem CID71779240
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCC(O)(C(=O)O)C1
InChIInChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-6-4-5-11(16,7-12)8(13)14/h16H,4-7H2,1-3H3,(H,13,14)
InChIKeyANMQQEWQWWIFEP-UHFFFAOYSA-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

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Related Compounds

1-((Tert-butoxy)carbonyl)piperidine-3-carboxylic acid
CID 2735647
1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate
CID 643516
(3S)-1-((tert-butoxy)carbonyl)piperidine-3-carboxylic acid
CID 6951168
1-((Tert-butoxy)carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 18619761
1-tert-Butyl 3-methyl 5-hydroxypiperidine-1,3-dicarboxylate
CID 45790959
1-[(Tert-butoxy)carbonyl]-3-fluoropiperidine-3-carboxylic acid
CID 49761215
1,3-Piperidinedicarboxylic acid, 5-methyl-, 1-(1,1-dimethylethyl) ester
CID 66786454
1-((Tert-butoxy)carbonyl)-3-methoxypiperidine-3-carboxylic acid
CID 83844375
1-[(Tert-butoxy)carbonyl]-5,5-dimethylpiperidine-3-carboxylic acid
CID 105512390
1-[(Tert-butoxy)carbonyl]-5-methoxypiperidine-3-carboxylic acid
CID 121317940
rac-(3R,5S)-1-((tert-butoxy)carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 124562270
1-Acetyl-3-hydroxypiperidine-3-carboxylic acid
CID 82405569

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid (CID 71779240) is 3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid is CC(C)(C)OC(=O)N1CCCC(O)(C(=O)O)C1.
What is the InChIKey of 3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?
The InChIKey is ANMQQEWQWWIFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-6-4-5-11(16,7-12)8(13)14/h16H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?
3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-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 3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 71779240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).