3-[2-(2-hydroxyethoxy)ethyl-(pyridine-4-carbonyl)amino]-2-methylpropanoic acid

C14H20N2O5 — CID 82325556

IUPAC3-[2-(2-hydroxyethoxy)ethyl-(pyridine-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCC(CN(CCOCCO)C(=O)c1ccncc1)C(=O)O
InChIInChI=1S/C14H20N2O5/c1-11(14(19)20)10-16(6-8-21-9-7-17)13(18)12-2-4-15-5-3-12/h2-5,11,17H,6-10H2,1H3,(H,19,20)
InChIKeyVQIDCYPXKRHGOJ-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.25
Rot. Bonds9

About 3-[2-(2-hydroxyethoxy)ethyl-(pyridine-4-carbonyl)amino]-2-methylpropanoic acid

3-[2-(2-hydroxyethoxy)ethyl-(pyridine-4-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 82325556) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethoxy)ethyl-(pyridine-4-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-(2-hydroxyethoxy)ethyl-(pyridine-4-carbonyl)amino]-2-methylpropanoic acid
PubChem CID82325556
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name3-[2-(2-hydroxyethoxy)ethyl-(pyridine-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCC(CN(CCOCCO)C(=O)c1ccncc1)C(=O)O
InChIInChI=1S/C14H20N2O5/c1-11(14(19)20)10-16(6-8-21-9-7-17)13(18)12-2-4-15-5-3-12/h2-5,11,17H,6-10H2,1H3,(H,19,20)
InChIKeyVQIDCYPXKRHGOJ-UHFFFAOYSA-N
XLogP0.25
TPSA99.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.25
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

3-[furan-2-carbonyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid
CID 82324412
3-[benzoyl(benzyl)amino]-2-methylpropanoic acid
CID 82324559
2-methyl-3-[(4-methylbenzoyl)-(3-methylbutyl)amino]propanoic acid
CID 82324747
2-methyl-3-[propanoyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82323325
3-[butyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 82325454
3-[benzoyl(ethyl)amino]-2-methylpropanoic acid
CID 62827364
3-[ethyl(pyridazine-4-carbonyl)amino]-2-methylpropanoic acid
CID 112555141
2-[2-[propan-2-yl(pyridin-4-ylmethyl)amino]ethoxy]ethanol
CID 114274418
N-(2-cyanoethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 57306314
3-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid
CID 106752591
3-[carboxymethyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 82325449
N-ethyl-5-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]pyridine-3-carboxamide
CID 114263707

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethoxy)ethyl-(pyridine-4-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[2-(2-hydroxyethoxy)ethyl-(pyridine-4-carbonyl)amino]-2-methylpropanoic acid (CID 82325556) is 3-[2-(2-hydroxyethoxy)ethyl-(pyridine-4-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-(2-hydroxyethoxy)ethyl-(pyridine-4-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-(2-hydroxyethoxy)ethyl-(pyridine-4-carbonyl)amino]-2-methylpropanoic acid is CC(CN(CCOCCO)C(=O)c1ccncc1)C(=O)O.
What is the InChIKey of 3-[2-(2-hydroxyethoxy)ethyl-(pyridine-4-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is VQIDCYPXKRHGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-11(14(19)20)10-16(6-8-21-9-7-17)13(18)12-2-4-15-5-3-12/h2-5,11,17H,6-10H2,1H3,(H,19,20).
What are the key properties of 3-[2-(2-hydroxyethoxy)ethyl-(pyridine-4-carbonyl)amino]-2-methylpropanoic acid?
3-[2-(2-hydroxyethoxy)ethyl-(pyridine-4-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 296.32 g/mol, XLogP of 0.25, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethoxy)ethyl-(pyridine-4-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82325556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).