2-ethoxy-4-[methyl(2-pyridin-4-ylethyl)amino]butanoic acid

C14H22N2O3 — CID 63067599

IUPAC2-ethoxy-4-[methyl(2-pyridin-4-ylethyl)amino]butanoic acid
SMILESCCOC(CCN(C)CCc1ccncc1)C(=O)O
InChIInChI=1S/C14H22N2O3/c1-3-19-13(14(17)18)7-11-16(2)10-6-12-4-8-15-9-5-12/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H,17,18)
InChIKeyOBFRANJMNLEEHC-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.44
Rot. Bonds9

About 2-ethoxy-4-[methyl(2-pyridin-4-ylethyl)amino]butanoic acid

2-ethoxy-4-[methyl(2-pyridin-4-ylethyl)amino]butanoic acid (PubChem CID 63067599) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-ethoxy-4-[methyl(2-pyridin-4-ylethyl)amino]butanoic acid.

Molecular Properties

Compound Name2-ethoxy-4-[methyl(2-pyridin-4-ylethyl)amino]butanoic acid
PubChem CID63067599
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-ethoxy-4-[methyl(2-pyridin-4-ylethyl)amino]butanoic acid
SMILESCCOC(CCN(C)CCc1ccncc1)C(=O)O
InChIInChI=1S/C14H22N2O3/c1-3-19-13(14(17)18)7-11-16(2)10-6-12-4-8-15-9-5-12/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H,17,18)
InChIKeyOBFRANJMNLEEHC-UHFFFAOYSA-N
XLogP1.44
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-diethoxy-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 63629114
4-[butyl(methyl)amino]-2-ethoxybutanoic acid
CID 63069285
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
4-[(2-bromophenyl)methyl-methylamino]-2-ethoxybutanoic acid
CID 55148053
2-(3-pyridin-4-ylpropoxy)hexanoic acid
CID 113373469
2-ethoxy-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid
CID 63073155
2-amino-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol
CID 64825859
2-ethoxy-4-[(3-methoxyphenyl)methyl-methylamino]butanoic acid
CID 63073004
4-(dibenzylamino)-2-ethoxybutanoic acid
CID 130158595
4,4-dimethyl-1-[methyl(2-pyridin-4-ylethyl)amino]pentan-3-one
CID 62624763
hydrazinyl 3-[methyl(2-pyridin-4-ylethyl)amino]propanoate
CID 66339679
3-ethoxy-1-pyridin-4-ylhexan-2-one
CID 116707737

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[methyl(2-pyridin-4-ylethyl)amino]butanoic acid?
The IUPAC name of 2-ethoxy-4-[methyl(2-pyridin-4-ylethyl)amino]butanoic acid (CID 63067599) is 2-ethoxy-4-[methyl(2-pyridin-4-ylethyl)amino]butanoic acid.
What is the SMILES notation for 2-ethoxy-4-[methyl(2-pyridin-4-ylethyl)amino]butanoic acid?
The canonical SMILES for 2-ethoxy-4-[methyl(2-pyridin-4-ylethyl)amino]butanoic acid is CCOC(CCN(C)CCc1ccncc1)C(=O)O.
What is the InChIKey of 2-ethoxy-4-[methyl(2-pyridin-4-ylethyl)amino]butanoic acid?
The InChIKey is OBFRANJMNLEEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-19-13(14(17)18)7-11-16(2)10-6-12-4-8-15-9-5-12/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H,17,18).
What are the key properties of 2-ethoxy-4-[methyl(2-pyridin-4-ylethyl)amino]butanoic acid?
2-ethoxy-4-[methyl(2-pyridin-4-ylethyl)amino]butanoic acid has a molecular weight of 266.34 g/mol, XLogP of 1.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[methyl(2-pyridin-4-ylethyl)amino]butanoic acid is sourced from PubChem (CID 63067599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).