4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid

C11H19NO3 — CID 66927001

IUPAC4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C2CC2CCO)CC1
InChIInChI=1S/C11H19NO3/c13-6-3-9-7-10(9)8-1-4-12(5-2-8)11(14)15/h8-10,13H,1-7H2,(H,14,15)
InChIKeyLYYJHEPIZSZSSE-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.39
Rot. Bonds3

About 4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid

4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid (PubChem CID 66927001) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid
PubChem CID66927001
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C2CC2CCO)CC1
InChIInChI=1S/C11H19NO3/c13-6-3-9-7-10(9)8-1-4-12(5-2-8)11(14)15/h8-10,13H,1-7H2,(H,14,15)
InChIKeyLYYJHEPIZSZSSE-UHFFFAOYSA-N
XLogP1.39
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid (CID 66927001) is 4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(C2CC2CCO)CC1.
What is the InChIKey of 4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid?
The InChIKey is LYYJHEPIZSZSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c13-6-3-9-7-10(9)8-1-4-12(5-2-8)11(14)15/h8-10,13H,1-7H2,(H,14,15).
What are the key properties of 4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid?
4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 66927001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).