1-(butoxycarbonylamino)piperidine-4-carboxylic acid

C11H20N2O4 — CID 91324869

IUPAC1-(butoxycarbonylamino)piperidine-4-carboxylic acid
SMILESCCCCOC(=O)NN1CCC(C(=O)O)CC1
InChIInChI=1S/C11H20N2O4/c1-2-3-8-17-11(16)12-13-6-4-9(5-7-13)10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyBHBZZIPPYUYSJU-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.22
Rot. Bonds5

About 1-(butoxycarbonylamino)piperidine-4-carboxylic acid

1-(butoxycarbonylamino)piperidine-4-carboxylic acid (PubChem CID 91324869) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(butoxycarbonylamino)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(butoxycarbonylamino)piperidine-4-carboxylic acid
PubChem CID91324869
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name1-(butoxycarbonylamino)piperidine-4-carboxylic acid
SMILESCCCCOC(=O)NN1CCC(C(=O)O)CC1
InChIInChI=1S/C11H20N2O4/c1-2-3-8-17-11(16)12-13-6-4-9(5-7-13)10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyBHBZZIPPYUYSJU-UHFFFAOYSA-N
XLogP1.22
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(butoxycarbonylamino)piperidine-4-carboxylic acid?
The IUPAC name of 1-(butoxycarbonylamino)piperidine-4-carboxylic acid (CID 91324869) is 1-(butoxycarbonylamino)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(butoxycarbonylamino)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(butoxycarbonylamino)piperidine-4-carboxylic acid is CCCCOC(=O)NN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(butoxycarbonylamino)piperidine-4-carboxylic acid?
The InChIKey is BHBZZIPPYUYSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-2-3-8-17-11(16)12-13-6-4-9(5-7-13)10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 1-(butoxycarbonylamino)piperidine-4-carboxylic acid?
1-(butoxycarbonylamino)piperidine-4-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butoxycarbonylamino)piperidine-4-carboxylic acid is sourced from PubChem (CID 91324869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).