2-ethoxy-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid

C14H28N2O3 — CID 63234287

IUPAC2-ethoxy-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid
SMILESCCOC(CCN(C)CC1CCN(C)CC1)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-4-19-13(14(17)18)7-10-16(3)11-12-5-8-15(2)9-6-12/h12-13H,4-11H2,1-3H3,(H,17,18)
InChIKeyLBZPCQYMWFPUTJ-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.14
Rot. Bonds8

About 2-ethoxy-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid

2-ethoxy-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid (PubChem CID 63234287) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-ethoxy-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid.

Molecular Properties

Compound Name2-ethoxy-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid
PubChem CID63234287
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-ethoxy-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid
SMILESCCOC(CCN(C)CC1CCN(C)CC1)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-4-19-13(14(17)18)7-10-16(3)11-12-5-8-15(2)9-6-12/h12-13H,4-11H2,1-3H3,(H,17,18)
InChIKeyLBZPCQYMWFPUTJ-UHFFFAOYSA-N
XLogP1.14
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-4-[methyl(oxan-2-ylmethyl)amino]butanoic acid
CID 63068837
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethoxybutanoic acid
CID 63685554
4-[cyclopropyl(ethyl)amino]-2-ethoxybutanoic acid
CID 63069124
4-[butyl(methyl)amino]-2-ethoxybutanoic acid
CID 63069285
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-one
CID 63236414
ethyl 2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate
CID 63274259
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid
CID 63236412
2-ethoxy-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid
CID 63073155
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
4-(diethylamino)-2-ethoxybutanoic acid
CID 63068058
2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid
CID 96639224
2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butanoic acid
CID 115249968

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid?
The IUPAC name of 2-ethoxy-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid (CID 63234287) is 2-ethoxy-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid.
What is the SMILES notation for 2-ethoxy-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid?
The canonical SMILES for 2-ethoxy-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid is CCOC(CCN(C)CC1CCN(C)CC1)C(=O)O.
What is the InChIKey of 2-ethoxy-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid?
The InChIKey is LBZPCQYMWFPUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-4-19-13(14(17)18)7-10-16(3)11-12-5-8-15(2)9-6-12/h12-13H,4-11H2,1-3H3,(H,17,18).
What are the key properties of 2-ethoxy-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid?
2-ethoxy-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid has a molecular weight of 272.39 g/mol, XLogP of 1.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid is sourced from PubChem (CID 63234287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).