4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-propan-2-ylamino]butanoic acid

C14H19BrN2O4 — CID 60825993

IUPAC4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C14H19BrN2O4/c1-10(2)17(7-3-4-14(20)21)13(19)9-16-8-11(15)5-6-12(16)18/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,20,21)
InChIKeyZPRCAQIIJGEJIC-UHFFFAOYSA-N
MW359.22 g/mol
LogP1.71
Rot. Bonds7

About 4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-propan-2-ylamino]butanoic acid

4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-propan-2-ylamino]butanoic acid (PubChem CID 60825993) has the molecular formula C14H19BrN2O4 and a molecular weight of 359.22 g/mol. Its IUPAC name is 4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-propan-2-ylamino]butanoic acid
PubChem CID60825993
Molecular FormulaC14H19BrN2O4
Molecular Weight359.22 g/mol
Exact Mass358.05
IUPAC Name4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C14H19BrN2O4/c1-10(2)17(7-3-4-14(20)21)13(19)9-16-8-11(15)5-6-12(16)18/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,20,21)
InChIKeyZPRCAQIIJGEJIC-UHFFFAOYSA-N
XLogP1.71
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-propan-2-ylamino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-propan-2-ylamino]butanoic acid (CID 60825993) is 4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-propan-2-ylamino]butanoic acid?
The InChIKey is ZPRCAQIIJGEJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O4/c1-10(2)17(7-3-4-14(20)21)13(19)9-16-8-11(15)5-6-12(16)18/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,20,21).
What are the key properties of 4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-propan-2-ylamino]butanoic acid?
4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-propan-2-ylamino]butanoic acid has a molecular weight of 359.22 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 60825993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).