2-[2-[methyl(pyridin-3-yl)amino]ethoxy]acetic acid

C10H14N2O3 — CID 70416770

IUPAC2-[2-[methyl(pyridin-3-yl)amino]ethoxy]acetic acid
SMILESCN(CCOCC(=O)O)c1cccnc1
InChIInChI=1S/C10H14N2O3/c1-12(5-6-15-8-10(13)14)9-3-2-4-11-7-9/h2-4,7H,5-6,8H2,1H3,(H,13,14)
InChIKeyMVEKRDUABZWFBT-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.62
Rot. Bonds6

About 2-[2-[methyl(pyridin-3-yl)amino]ethoxy]acetic acid

2-[2-[methyl(pyridin-3-yl)amino]ethoxy]acetic acid (PubChem CID 70416770) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[2-[methyl(pyridin-3-yl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[methyl(pyridin-3-yl)amino]ethoxy]acetic acid
PubChem CID70416770
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-[2-[methyl(pyridin-3-yl)amino]ethoxy]acetic acid
SMILESCN(CCOCC(=O)O)c1cccnc1
InChIInChI=1S/C10H14N2O3/c1-12(5-6-15-8-10(13)14)9-3-2-4-11-7-9/h2-4,7H,5-6,8H2,1H3,(H,13,14)
InChIKeyMVEKRDUABZWFBT-UHFFFAOYSA-N
XLogP0.62
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[methyl(pyridin-3-yl)carbamoyl]amino]ethoxy]acetic acid
CID 79464321
2-(2-pyridin-3-ylethoxy)acetic acid
CID 83530002
(E)-4-[methyl(pyridin-3-yl)amino]but-2-enoic acid
CID 115237054
2-[2-[(2-pyridin-3-ylacetyl)amino]ethoxy]acetic acid
CID 79457634
N,N-dimethylpyridin-3-amine;hydrochloride
CID 23028557
3-[methyl(3-pyridin-3-yloxypropanoyl)amino]propanoic acid
CID 110837113
3,3-dimethyl-4-[methyl(pyridin-3-yl)amino]-4-oxobutanoic acid
CID 115164800
N'-methyl-N-propan-2-yl-N'-pyridin-3-ylethane-1,2-diamine
CID 115206418
2-[2-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 60662590
2-[2-oxo-2-(1-pyridin-3-ylethylamino)ethoxy]acetic acid
CID 61328794
N-methyl-N-pyridin-3-ylcarbamoyl chloride
CID 115194564
methyl N-methoxycarbonyl-N-pyridin-3-ylcarbamate
CID 138436775

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(pyridin-3-yl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[methyl(pyridin-3-yl)amino]ethoxy]acetic acid (CID 70416770) is 2-[2-[methyl(pyridin-3-yl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[methyl(pyridin-3-yl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[methyl(pyridin-3-yl)amino]ethoxy]acetic acid is CN(CCOCC(=O)O)c1cccnc1.
What is the InChIKey of 2-[2-[methyl(pyridin-3-yl)amino]ethoxy]acetic acid?
The InChIKey is MVEKRDUABZWFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-12(5-6-15-8-10(13)14)9-3-2-4-11-7-9/h2-4,7H,5-6,8H2,1H3,(H,13,14).
What are the key properties of 2-[2-[methyl(pyridin-3-yl)amino]ethoxy]acetic acid?
2-[2-[methyl(pyridin-3-yl)amino]ethoxy]acetic acid has a molecular weight of 210.23 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(pyridin-3-yl)amino]ethoxy]acetic acid is sourced from PubChem (CID 70416770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).