1-(tert-butylcarbamoyl)piperidine-4-carboxylic acid

C11H20N2O3 — CID 894285

IUPAC1-(tert-butylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC(C)(C)NC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H20N2O3/c1-11(2,3)12-10(16)13-6-4-8(5-7-13)9(14)15/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyAWVHOQGJASRAKQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.29
Rot. Bonds1

About 1-(tert-butylcarbamoyl)piperidine-4-carboxylic acid

1-(tert-butylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 894285) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(tert-butylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(tert-butylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID894285
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-(tert-butylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC(C)(C)NC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H20N2O3/c1-11(2,3)12-10(16)13-6-4-8(5-7-13)9(14)15/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyAWVHOQGJASRAKQ-UHFFFAOYSA-N
XLogP1.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(tert-butylcarbamoyl)piperidine-4-carboxylic acid (CID 894285) is 1-(tert-butylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(tert-butylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(tert-butylcarbamoyl)piperidine-4-carboxylic acid is CC(C)(C)NC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(tert-butylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is AWVHOQGJASRAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,3)12-10(16)13-6-4-8(5-7-13)9(14)15/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 1-(tert-butylcarbamoyl)piperidine-4-carboxylic acid?
1-(tert-butylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 894285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).