2-[2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]ethoxy]acetic acid

C12H17N3O4 — CID 79456816

IUPAC2-[2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]ethoxy]acetic acid
SMILESCN(C)c1ccc(C(=O)NCCOCC(=O)O)cn1
InChIInChI=1S/C12H17N3O4/c1-15(2)10-4-3-9(7-14-10)12(18)13-5-6-19-8-11(16)17/h3-4,7H,5-6,8H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyVROZCZLIQIPDMC-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.02
Rot. Bonds7

About 2-[2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]ethoxy]acetic acid

2-[2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]ethoxy]acetic acid (PubChem CID 79456816) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]ethoxy]acetic acid
PubChem CID79456816
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name2-[2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]ethoxy]acetic acid
SMILESCN(C)c1ccc(C(=O)NCCOCC(=O)O)cn1
InChIInChI=1S/C12H17N3O4/c1-15(2)10-4-3-9(7-14-10)12(18)13-5-6-19-8-11(16)17/h3-4,7H,5-6,8H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyVROZCZLIQIPDMC-UHFFFAOYSA-N
XLogP-0.02
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(dimethylamino)-N-[2-(2-hydroxyethoxy)ethyl]pyridine-3-carboxamide
CID 55023997
2-[2-[[4-[(dimethylamino)methyl]benzoyl]amino]ethoxy]acetic acid
CID 79469254
3-[2-[2-[2-[2-[2-[2-[2-[2-[[6-[tert-butyl-(carboxyamino)amino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 118560108
6-(dimethylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 80707921
N-(3-aminobutyl)-6-(dimethylamino)pyridine-3-carboxamide
CID 119497031
6-(dimethylamino)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]pyridine-3-carboxamide
CID 94131649
2-[2-[2-[(2-methylsulfanylpyrimidine-5-carbonyl)amino]ethoxy]ethoxy]acetic acid
CID 170283260
2-[2-[(4-fluorobenzoyl)amino]ethoxy]acetic acid
CID 79456610
3-[6-(dimethylamino)-3-pyridinyl]-3-oxopropanoic acid
CID 151348465
N-[2-(cycloheptylamino)ethyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 119620220
2-[2-(1H-pyrazole-4-carbonylamino)ethoxy]acetic acid
CID 79469118
2-[[[6-(dimethylamino)pyridine-3-carbonyl]amino]methyl]butanoic acid
CID 65219660

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]ethoxy]acetic acid (CID 79456816) is 2-[2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]ethoxy]acetic acid is CN(C)c1ccc(C(=O)NCCOCC(=O)O)cn1.
What is the InChIKey of 2-[2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]ethoxy]acetic acid?
The InChIKey is VROZCZLIQIPDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-15(2)10-4-3-9(7-14-10)12(18)13-5-6-19-8-11(16)17/h3-4,7H,5-6,8H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 2-[2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]ethoxy]acetic acid?
2-[2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]ethoxy]acetic acid has a molecular weight of 267.29 g/mol, XLogP of -0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 79456816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).