1-(oxolan-2-ylmethyl)piperidine-2-carboxylic acid

C11H19NO3 — CID 43441028

IUPAC1-(oxolan-2-ylmethyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1CC1CCCO1
InChIInChI=1S/C11H19NO3/c13-11(14)10-5-1-2-6-12(10)8-9-4-3-7-15-9/h9-10H,1-8H2,(H,13,14)
InChIKeyUKSVZHIJCCXTBL-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.10
Rot. Bonds3

About 1-(oxolan-2-ylmethyl)piperidine-2-carboxylic acid

1-(oxolan-2-ylmethyl)piperidine-2-carboxylic acid (PubChem CID 43441028) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)piperidine-2-carboxylic acid
PubChem CID43441028
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-(oxolan-2-ylmethyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1CC1CCCO1
InChIInChI=1S/C11H19NO3/c13-11(14)10-5-1-2-6-12(10)8-9-4-3-7-15-9/h9-10H,1-8H2,(H,13,14)
InChIKeyUKSVZHIJCCXTBL-UHFFFAOYSA-N
XLogP1.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(oxolan-2-ylmethyl)piperidine-2-carboxylic acid (CID 43441028) is 1-(oxolan-2-ylmethyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(oxolan-2-ylmethyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1CC1CCCO1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)piperidine-2-carboxylic acid?
The InChIKey is UKSVZHIJCCXTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c13-11(14)10-5-1-2-6-12(10)8-9-4-3-7-15-9/h9-10H,1-8H2,(H,13,14).
What are the key properties of 1-(oxolan-2-ylmethyl)piperidine-2-carboxylic acid?
1-(oxolan-2-ylmethyl)piperidine-2-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 43441028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).