(3R)-3-(2-methoxyethoxy)piperidine-1-carboxylic acid

C9H17NO4 — CID 69042431

IUPAC(3R)-3-(2-methoxyethoxy)piperidine-1-carboxylic acid
SMILESCOCCO[C@@H]1CCCN(C(=O)O)C1
InChIInChI=1S/C9H17NO4/c1-13-5-6-14-8-3-2-4-10(7-8)9(11)12/h8H,2-7H2,1H3,(H,11,12)/t8-/m1/s1
InChIKeySZGVDYRUNGIIJS-MRVPVSSYSA-N
MW203.24 g/mol
LogP0.79
Rot. Bonds4

About (3R)-3-(2-methoxyethoxy)piperidine-1-carboxylic acid

(3R)-3-(2-methoxyethoxy)piperidine-1-carboxylic acid (PubChem CID 69042431) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is (3R)-3-(2-methoxyethoxy)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-(2-methoxyethoxy)piperidine-1-carboxylic acid
PubChem CID69042431
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name(3R)-3-(2-methoxyethoxy)piperidine-1-carboxylic acid
SMILESCOCCO[C@@H]1CCCN(C(=O)O)C1
InChIInChI=1S/C9H17NO4/c1-13-5-6-14-8-3-2-4-10(7-8)9(11)12/h8H,2-7H2,1H3,(H,11,12)/t8-/m1/s1
InChIKeySZGVDYRUNGIIJS-MRVPVSSYSA-N
XLogP0.79
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.79
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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methoxyethoxy)piperidine-1-carboxylic acid?
The IUPAC name of (3R)-3-(2-methoxyethoxy)piperidine-1-carboxylic acid (CID 69042431) is (3R)-3-(2-methoxyethoxy)piperidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-(2-methoxyethoxy)piperidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-(2-methoxyethoxy)piperidine-1-carboxylic acid is COCCO[C@@H]1CCCN(C(=O)O)C1.
What is the InChIKey of (3R)-3-(2-methoxyethoxy)piperidine-1-carboxylic acid?
The InChIKey is SZGVDYRUNGIIJS-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-13-5-6-14-8-3-2-4-10(7-8)9(11)12/h8H,2-7H2,1H3,(H,11,12)/t8-/m1/s1.
What are the key properties of (3R)-3-(2-methoxyethoxy)piperidine-1-carboxylic acid?
(3R)-3-(2-methoxyethoxy)piperidine-1-carboxylic acid has a molecular weight of 203.24 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methoxyethoxy)piperidine-1-carboxylic acid is sourced from PubChem (CID 69042431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).