1-(methoxymethyl)piperidine-3-carboxylic acid

C8H15NO3 — CID 67043579

IUPAC1-(methoxymethyl)piperidine-3-carboxylic acid
SMILESCOCN1CCCC(C(=O)O)C1
InChIInChI=1S/C8H15NO3/c1-12-6-9-4-2-3-7(5-9)8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyDYEXYPWBVWLZCI-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.39
Rot. Bonds3

About 1-(methoxymethyl)piperidine-3-carboxylic acid

1-(methoxymethyl)piperidine-3-carboxylic acid (PubChem CID 67043579) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 1-(methoxymethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(methoxymethyl)piperidine-3-carboxylic acid
PubChem CID67043579
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name1-(methoxymethyl)piperidine-3-carboxylic acid
SMILESCOCN1CCCC(C(=O)O)C1
InChIInChI=1S/C8H15NO3/c1-12-6-9-4-2-3-7(5-9)8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyDYEXYPWBVWLZCI-UHFFFAOYSA-N
XLogP0.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 27440266
1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylic acid
CID 170458411
(3S)-1-(cyclopentylmethyl)piperidine-3-carboxylic acid
CID 51441057
1-(cyclopropylmethyl)piperidine-3-carboxylic acid;hydrochloride
CID 53393263
1-(2-propoxyethyl)piperidine-3-carboxylic acid
CID 106454575
(3S)-1-(2,2-difluoroethyl)piperidine-3-carboxylic acid
CID 28869402
1-(2-ethyl-2-hydroxybutyl)piperidine-3-carboxylic acid
CID 114494750
1-[2-(diethylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385879
1-(2-ethylsulfonylethyl)piperidine-3-carboxylic acid
CID 43808023
1-[1-(2-methoxyethyl)piperidin-3-yl]ethanone
CID 63845115
1-(2-acetamidoethyl)piperidine-3-carboxylic acid
CID 43385924
1-[2-(2-hydroxyethoxy)ethyl]piperidine-3-carboxylic acid
CID 61070324

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(methoxymethyl)piperidine-3-carboxylic acid (CID 67043579) is 1-(methoxymethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(methoxymethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(methoxymethyl)piperidine-3-carboxylic acid is COCN1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(methoxymethyl)piperidine-3-carboxylic acid?
The InChIKey is DYEXYPWBVWLZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-12-6-9-4-2-3-7(5-9)8(10)11/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 1-(methoxymethyl)piperidine-3-carboxylic acid?
1-(methoxymethyl)piperidine-3-carboxylic acid has a molecular weight of 173.21 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 67043579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).