1-butoxycarbonylpiperidine-4-carboxylic acid

C11H19NO4 — CID 18419728

IUPAC1-butoxycarbonylpiperidine-4-carboxylic acid
SMILESCCCCOC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H19NO4/c1-2-3-8-16-11(15)12-6-4-9(5-7-12)10(13)14/h9H,2-8H2,1H3,(H,13,14)
InChIKeyLNAANGYWIDUDRG-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.72
Rot. Bonds4

About 1-butoxycarbonylpiperidine-4-carboxylic acid

1-butoxycarbonylpiperidine-4-carboxylic acid (PubChem CID 18419728) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-butoxycarbonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-butoxycarbonylpiperidine-4-carboxylic acid
PubChem CID18419728
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name1-butoxycarbonylpiperidine-4-carboxylic acid
SMILESCCCCOC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H19NO4/c1-2-3-8-16-11(15)12-6-4-9(5-7-12)10(13)14/h9H,2-8H2,1H3,(H,13,14)
InChIKeyLNAANGYWIDUDRG-UHFFFAOYSA-N
XLogP1.72
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Computed Properties (RDKit)

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

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Related Compounds

1-Acetylpiperidine-4-carboxylic acid
CID 117255
1-N-Boc-4-Piperidinecarboxylic acid methyl ester
CID 392870
1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid
CID 392871
1-Tert-butyl 4-ethyl piperidine-1,4-dicarboxylate
CID 2758812
1-(Methoxycarbonyl)piperidine-4-carboxylic acid
CID 1490569
1-(Ethoxycarbonyl)-4-piperidinecarboxylic Acid
CID 6618886
1-Formyl-4-piperidinecarboxylic Acid
CID 2759232
1-[(Tert-butoxy)carbonyl]-4-methylpiperidine-4-carboxylic acid
CID 23282848
1-Propionyl-4-piperidinecarboxylic acid
CID 685155
Ethyl 1-acetylpiperidine-4-carboxylate
CID 690430
Ethyl 1-(3-methylbutanoyl)piperidine-4-carboxylate
CID 670003
4-Ethyl 1-methyl piperidine-1,4-dicarboxylate
CID 16641058

Frequently Asked Questions

What is the IUPAC name of 1-butoxycarbonylpiperidine-4-carboxylic acid?
The IUPAC name of 1-butoxycarbonylpiperidine-4-carboxylic acid (CID 18419728) is 1-butoxycarbonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-butoxycarbonylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-butoxycarbonylpiperidine-4-carboxylic acid is CCCCOC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-butoxycarbonylpiperidine-4-carboxylic acid?
The InChIKey is LNAANGYWIDUDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-2-3-8-16-11(15)12-6-4-9(5-7-12)10(13)14/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 1-butoxycarbonylpiperidine-4-carboxylic acid?
1-butoxycarbonylpiperidine-4-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxycarbonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 18419728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).