2-butoxycarbonylpiperidine-2-carboxylic acid

C11H19NO4 — CID 67685241

IUPAC2-butoxycarbonylpiperidine-2-carboxylic acid
SMILESCCCCOC(=O)C1(C(=O)O)CCCCN1
InChIInChI=1S/C11H19NO4/c1-2-3-8-16-10(15)11(9(13)14)6-4-5-7-12-11/h12H,2-8H2,1H3,(H,13,14)
InChIKeyWXQQHTMVZXDLQZ-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.93
Rot. Bonds5

About 2-butoxycarbonylpiperidine-2-carboxylic acid

2-butoxycarbonylpiperidine-2-carboxylic acid (PubChem CID 67685241) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-butoxycarbonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-butoxycarbonylpiperidine-2-carboxylic acid
PubChem CID67685241
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-butoxycarbonylpiperidine-2-carboxylic acid
SMILESCCCCOC(=O)C1(C(=O)O)CCCCN1
InChIInChI=1S/C11H19NO4/c1-2-3-8-16-10(15)11(9(13)14)6-4-5-7-12-11/h12H,2-8H2,1H3,(H,13,14)
InChIKeyWXQQHTMVZXDLQZ-UHFFFAOYSA-N
XLogP0.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

CID 117272128
CID 117272128
CID 85844314
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CID 21904115
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CID 168655036
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CID 13205594
CID 13205594
CID 18648443
CID 18648443
CID 22401127
CID 22401127
CID 22871938
CID 22871938
CID 23206144
CID 23206144
CID 23206150
CID 23206150
CID 23224198
CID 23224198
CID 53839381
CID 53839381

Frequently Asked Questions

What is the IUPAC name of 2-butoxycarbonylpiperidine-2-carboxylic acid?
The IUPAC name of 2-butoxycarbonylpiperidine-2-carboxylic acid (CID 67685241) is 2-butoxycarbonylpiperidine-2-carboxylic acid.
What is the SMILES notation for 2-butoxycarbonylpiperidine-2-carboxylic acid?
The canonical SMILES for 2-butoxycarbonylpiperidine-2-carboxylic acid is CCCCOC(=O)C1(C(=O)O)CCCCN1.
What is the InChIKey of 2-butoxycarbonylpiperidine-2-carboxylic acid?
The InChIKey is WXQQHTMVZXDLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-2-3-8-16-10(15)11(9(13)14)6-4-5-7-12-11/h12H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-butoxycarbonylpiperidine-2-carboxylic acid?
2-butoxycarbonylpiperidine-2-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxycarbonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 67685241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).