3-[ethyl-(3,4,5-trichloropyridine-2-carbonyl)amino]propanoic acid

C11H11Cl3N2O3 — CID 61007768

IUPAC3-[ethyl-(3,4,5-trichloropyridine-2-carbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C11H11Cl3N2O3/c1-2-16(4-3-7(17)18)11(19)10-9(14)8(13)6(12)5-15-10/h5H,2-4H2,1H3,(H,17,18)
InChIKeyRRVYWXHRAJEEHH-UHFFFAOYSA-N
MW325.58 g/mol
LogP2.98
Rot. Bonds5

About 3-[ethyl-(3,4,5-trichloropyridine-2-carbonyl)amino]propanoic acid

3-[ethyl-(3,4,5-trichloropyridine-2-carbonyl)amino]propanoic acid (PubChem CID 61007768) has the molecular formula C11H11Cl3N2O3 and a molecular weight of 325.58 g/mol. Its IUPAC name is 3-[ethyl-(3,4,5-trichloropyridine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-(3,4,5-trichloropyridine-2-carbonyl)amino]propanoic acid
PubChem CID61007768
Molecular FormulaC11H11Cl3N2O3
Molecular Weight325.58 g/mol
Exact Mass323.98
IUPAC Name3-[ethyl-(3,4,5-trichloropyridine-2-carbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C11H11Cl3N2O3/c1-2-16(4-3-7(17)18)11(19)10-9(14)8(13)6(12)5-15-10/h5H,2-4H2,1H3,(H,17,18)
InChIKeyRRVYWXHRAJEEHH-UHFFFAOYSA-N
XLogP2.98
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.58
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(3,4,5-trichloropyridine-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl-(3,4,5-trichloropyridine-2-carbonyl)amino]propanoic acid (CID 61007768) is 3-[ethyl-(3,4,5-trichloropyridine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-(3,4,5-trichloropyridine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl-(3,4,5-trichloropyridine-2-carbonyl)amino]propanoic acid is CCN(CCC(=O)O)C(=O)c1ncc(Cl)c(Cl)c1Cl.
What is the InChIKey of 3-[ethyl-(3,4,5-trichloropyridine-2-carbonyl)amino]propanoic acid?
The InChIKey is RRVYWXHRAJEEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl3N2O3/c1-2-16(4-3-7(17)18)11(19)10-9(14)8(13)6(12)5-15-10/h5H,2-4H2,1H3,(H,17,18).
What are the key properties of 3-[ethyl-(3,4,5-trichloropyridine-2-carbonyl)amino]propanoic acid?
3-[ethyl-(3,4,5-trichloropyridine-2-carbonyl)amino]propanoic acid has a molecular weight of 325.58 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(3,4,5-trichloropyridine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61007768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).