2-[4-(methoxymethyl)-4-methylpiperidin-1-yl]acetic acid

C10H19NO3 — CID 121203104

IUPAC2-[4-(methoxymethyl)-4-methylpiperidin-1-yl]acetic acid
SMILESCOCC1(C)CCN(CC(=O)O)CC1
InChIInChI=1S/C10H19NO3/c1-10(8-14-2)3-5-11(6-4-10)7-9(12)13/h3-8H2,1-2H3,(H,12,13)
InChIKeyJEFOZLDMVJOULO-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.82
Rot. Bonds4

About 2-[4-(methoxymethyl)-4-methylpiperidin-1-yl]acetic acid

2-[4-(methoxymethyl)-4-methylpiperidin-1-yl]acetic acid (PubChem CID 121203104) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)-4-methylpiperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(methoxymethyl)-4-methylpiperidin-1-yl]acetic acid
PubChem CID121203104
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-[4-(methoxymethyl)-4-methylpiperidin-1-yl]acetic acid
SMILESCOCC1(C)CCN(CC(=O)O)CC1
InChIInChI=1S/C10H19NO3/c1-10(8-14-2)3-5-11(6-4-10)7-9(12)13/h3-8H2,1-2H3,(H,12,13)
InChIKeyJEFOZLDMVJOULO-UHFFFAOYSA-N
XLogP0.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(ethoxymethyl)-4-methylpiperidin-1-yl]acetic acid
CID 121203132
methyl 1-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]cyclobutane-1-carboxylate
CID 139515865
2-[4,10-bis(carboxymethyl)-7-(methoxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 90886776
1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-2-one
CID 107507399
2-[1-(3-methoxypropyl)-3-methylpyrrolidin-3-yl]acetic acid
CID 117013124
2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetic acid
CID 170916597
[4-(methoxymethyl)-4-methylpiperidin-1-yl] 2,2,2-trifluoroacetate
CID 69487812
copper 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 6398176
ethane;2-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 143494242
1-(2-azidoethyl)-4-(methoxymethyl)-4-methylpiperidine
CID 121203109
2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazin-1-yl]acetic acid
CID 104564764
2-[5-(carboxymethyl)-1,5-diazocan-1-yl]acetic acid
CID 4776245

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)-4-methylpiperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-(methoxymethyl)-4-methylpiperidin-1-yl]acetic acid (CID 121203104) is 2-[4-(methoxymethyl)-4-methylpiperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(methoxymethyl)-4-methylpiperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(methoxymethyl)-4-methylpiperidin-1-yl]acetic acid is COCC1(C)CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-(methoxymethyl)-4-methylpiperidin-1-yl]acetic acid?
The InChIKey is JEFOZLDMVJOULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(8-14-2)3-5-11(6-4-10)7-9(12)13/h3-8H2,1-2H3,(H,12,13).
What are the key properties of 2-[4-(methoxymethyl)-4-methylpiperidin-1-yl]acetic acid?
2-[4-(methoxymethyl)-4-methylpiperidin-1-yl]acetic acid has a molecular weight of 201.27 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)-4-methylpiperidin-1-yl]acetic acid is sourced from PubChem (CID 121203104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).