propan-2-yl 2-(3-amino-4-oxo-1-pyridinyl)acetate

C10H14N2O3 — CID 82991853

IUPACpropan-2-yl 2-(3-amino-4-oxo-1-pyridinyl)acetate
SMILESCC(C)OC(=O)Cn1ccc(=O)c(N)c1
InChIInChI=1S/C10H14N2O3/c1-7(2)15-10(14)6-12-4-3-9(13)8(11)5-12/h3-5,7H,6,11H2,1-2H3
InChIKeyVVQGIKYCGQCSTH-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.38
Rot. Bonds3

About propan-2-yl 2-(3-amino-4-oxo-1-pyridinyl)acetate

propan-2-yl 2-(3-amino-4-oxo-1-pyridinyl)acetate (PubChem CID 82991853) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is propan-2-yl 2-(3-amino-4-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(3-amino-4-oxo-1-pyridinyl)acetate
PubChem CID82991853
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Namepropan-2-yl 2-(3-amino-4-oxo-1-pyridinyl)acetate
SMILESCC(C)OC(=O)Cn1ccc(=O)c(N)c1
InChIInChI=1S/C10H14N2O3/c1-7(2)15-10(14)6-12-4-3-9(13)8(11)5-12/h3-5,7H,6,11H2,1-2H3
InChIKeyVVQGIKYCGQCSTH-UHFFFAOYSA-N
XLogP0.38
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 2-(3-amino-4-oxo-1-pyridinyl)acetate 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 propan-2-yl 2-(3-amino-4-oxo-1-pyridinyl)acetate?
The IUPAC name of propan-2-yl 2-(3-amino-4-oxo-1-pyridinyl)acetate (CID 82991853) is propan-2-yl 2-(3-amino-4-oxo-1-pyridinyl)acetate.
What is the SMILES notation for propan-2-yl 2-(3-amino-4-oxo-1-pyridinyl)acetate?
The canonical SMILES for propan-2-yl 2-(3-amino-4-oxo-1-pyridinyl)acetate is CC(C)OC(=O)Cn1ccc(=O)c(N)c1.
What is the InChIKey of propan-2-yl 2-(3-amino-4-oxo-1-pyridinyl)acetate?
The InChIKey is VVQGIKYCGQCSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7(2)15-10(14)6-12-4-3-9(13)8(11)5-12/h3-5,7H,6,11H2,1-2H3.
What are the key properties of propan-2-yl 2-(3-amino-4-oxo-1-pyridinyl)acetate?
propan-2-yl 2-(3-amino-4-oxo-1-pyridinyl)acetate has a molecular weight of 210.23 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(3-amino-4-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 82991853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).