4-[[2-methoxyethyl(methyl)amino]methyl]oxane-4-carboxylic acid

C11H21NO4 — CID 62392063

IUPAC4-[[2-methoxyethyl(methyl)amino]methyl]oxane-4-carboxylic acid
SMILESCOCCN(C)CC1(C(=O)O)CCOCC1
InChIInChI=1S/C11H21NO4/c1-12(5-8-15-2)9-11(10(13)14)3-6-16-7-4-11/h3-9H2,1-2H3,(H,13,14)
InChIKeyTWKFNDBYFJYJJF-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.45
Rot. Bonds6

About 4-[[2-methoxyethyl(methyl)amino]methyl]oxane-4-carboxylic acid

4-[[2-methoxyethyl(methyl)amino]methyl]oxane-4-carboxylic acid (PubChem CID 62392063) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 4-[[2-methoxyethyl(methyl)amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[2-methoxyethyl(methyl)amino]methyl]oxane-4-carboxylic acid
PubChem CID62392063
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name4-[[2-methoxyethyl(methyl)amino]methyl]oxane-4-carboxylic acid
SMILESCOCCN(C)CC1(C(=O)O)CCOCC1
InChIInChI=1S/C11H21NO4/c1-12(5-8-15-2)9-11(10(13)14)3-6-16-7-4-11/h3-9H2,1-2H3,(H,13,14)
InChIKeyTWKFNDBYFJYJJF-UHFFFAOYSA-N
XLogP0.45
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-methoxypropyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 63008835
4-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxane-4-carboxylic acid
CID 62390142
3-[[methyl(3-methylbutyl)amino]methyl]oxolane-3-carboxylic acid
CID 62272540
4-[[cyclopropyl(methyl)amino]methyl]oxane-4-carboxylic acid
CID 62390479
3-[[2-methoxyethyl(methyl)amino]methyl]oxolan-3-amine
CID 64893461
4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]oxane-4-carboxamide
CID 113280761
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxane-4-carboxylic acid
CID 62392237
4-(aminomethyl)-N,N-bis(2-methoxyethyl)oxane-4-carboxamide;hydrochloride
CID 120917290
2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 114950961
4-[[(2-bromophenyl)methyl-methylamino]methyl]oxane-4-carboxylic acid
CID 62391190
1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115246585
3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid
CID 62271963

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxyethyl(methyl)amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[2-methoxyethyl(methyl)amino]methyl]oxane-4-carboxylic acid (CID 62392063) is 4-[[2-methoxyethyl(methyl)amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[2-methoxyethyl(methyl)amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[2-methoxyethyl(methyl)amino]methyl]oxane-4-carboxylic acid is COCCN(C)CC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[[2-methoxyethyl(methyl)amino]methyl]oxane-4-carboxylic acid?
The InChIKey is TWKFNDBYFJYJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-12(5-8-15-2)9-11(10(13)14)3-6-16-7-4-11/h3-9H2,1-2H3,(H,13,14).
What are the key properties of 4-[[2-methoxyethyl(methyl)amino]methyl]oxane-4-carboxylic acid?
4-[[2-methoxyethyl(methyl)amino]methyl]oxane-4-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxyethyl(methyl)amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 62392063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).