1-propoxycarbonylpiperidine-4-carboxylic acid

C10H17NO4 — CID 70614503

IUPAC1-propoxycarbonylpiperidine-4-carboxylic acid
SMILESCCCOC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C10H17NO4/c1-2-7-15-10(14)11-5-3-8(4-6-11)9(12)13/h8H,2-7H2,1H3,(H,12,13)
InChIKeyDYSZDLDJZQPXTO-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.33
Rot. Bonds3

About 1-propoxycarbonylpiperidine-4-carboxylic acid

1-propoxycarbonylpiperidine-4-carboxylic acid (PubChem CID 70614503) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-propoxycarbonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-propoxycarbonylpiperidine-4-carboxylic acid
PubChem CID70614503
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name1-propoxycarbonylpiperidine-4-carboxylic acid
SMILESCCCOC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C10H17NO4/c1-2-7-15-10(14)11-5-3-8(4-6-11)9(12)13/h8H,2-7H2,1H3,(H,12,13)
InChIKeyDYSZDLDJZQPXTO-UHFFFAOYSA-N
XLogP1.33
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propoxycarbonylpiperidine-4-carboxylic acid?
The IUPAC name of 1-propoxycarbonylpiperidine-4-carboxylic acid (CID 70614503) is 1-propoxycarbonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-propoxycarbonylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-propoxycarbonylpiperidine-4-carboxylic acid is CCCOC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-propoxycarbonylpiperidine-4-carboxylic acid?
The InChIKey is DYSZDLDJZQPXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-2-7-15-10(14)11-5-3-8(4-6-11)9(12)13/h8H,2-7H2,1H3,(H,12,13).
What are the key properties of 1-propoxycarbonylpiperidine-4-carboxylic acid?
1-propoxycarbonylpiperidine-4-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propoxycarbonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 70614503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).