2-hydroxy-5-methoxypiperidine-1-carboxylic acid

C7H13NO4 — CID 151000753

IUPAC2-hydroxy-5-methoxypiperidine-1-carboxylic acid
SMILESCOC1CCC(O)N(C(=O)O)C1
InChIInChI=1S/C7H13NO4/c1-12-5-2-3-6(9)8(4-5)7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)
InChIKeyLUAWPYCXCHGWBZ-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.09
Rot. Bonds1

About 2-hydroxy-5-methoxypiperidine-1-carboxylic acid

2-hydroxy-5-methoxypiperidine-1-carboxylic acid (PubChem CID 151000753) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 2-hydroxy-5-methoxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-5-methoxypiperidine-1-carboxylic acid
PubChem CID151000753
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name2-hydroxy-5-methoxypiperidine-1-carboxylic acid
SMILESCOC1CCC(O)N(C(=O)O)C1
InChIInChI=1S/C7H13NO4/c1-12-5-2-3-6(9)8(4-5)7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)
InChIKeyLUAWPYCXCHGWBZ-UHFFFAOYSA-N
XLogP0.09
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methoxypiperidine-1-carboxylic acid?
The IUPAC name of 2-hydroxy-5-methoxypiperidine-1-carboxylic acid (CID 151000753) is 2-hydroxy-5-methoxypiperidine-1-carboxylic acid.
What is the SMILES notation for 2-hydroxy-5-methoxypiperidine-1-carboxylic acid?
The canonical SMILES for 2-hydroxy-5-methoxypiperidine-1-carboxylic acid is COC1CCC(O)N(C(=O)O)C1.
What is the InChIKey of 2-hydroxy-5-methoxypiperidine-1-carboxylic acid?
The InChIKey is LUAWPYCXCHGWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-12-5-2-3-6(9)8(4-5)7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11).
What are the key properties of 2-hydroxy-5-methoxypiperidine-1-carboxylic acid?
2-hydroxy-5-methoxypiperidine-1-carboxylic acid has a molecular weight of 175.18 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methoxypiperidine-1-carboxylic acid is sourced from PubChem (CID 151000753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).