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

C11H19NO4 — CID 2735647

IUPAC1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-6-4-5-8(7-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyNXILIHONWRXHFA-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.72
Rot. Bonds1

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

1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid (PubChem CID 2735647) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
PubChem CID2735647
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-6-4-5-8(7-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyNXILIHONWRXHFA-UHFFFAOYSA-N
XLogP1.72
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate
CID 11276893
1-Tert-butyl 3-ethyl piperidine-1,3-dicarboxylate
CID 357727
[1-(tert-Butoxycarbonyl)piperidin-4-yl]acetic acid
CID 1512539
1-Acetyl-3-piperidinecarboxylic acid
CID 14043896
1-[(Tert-butoxy)carbonyl]-3-hydroxypiperidine-3-carboxylic acid
CID 71779240
1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate
CID 643516
1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-piperidinedicarboxylate
CID 6420876
3-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)propanoic acid
CID 1512540
(3S)-1-((tert-butoxy)carbonyl)piperidine-3-carboxylic acid
CID 6951168
5-[(tert-Butoxycarbonyl)(methyl)amino]pentanoic acid
CID 19753820
3-((Tert-butoxy)carbonyl)-3-azabicyclo(3.1.1)heptane-1-carboxylic acid
CID 25324128
(1R,5R)-3-[(tert-butoxy)carbonyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
CID 97291630

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid (CID 2735647) is 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid is CC(C)(C)OC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?
The InChIKey is NXILIHONWRXHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-6-4-5-8(7-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?
1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 2735647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).