methyl 2-(3-amino-2-oxo-1-pyridinyl)propanoate

C9H12N2O3 — CID 18469010

IUPACmethyl 2-(3-amino-2-oxo-1-pyridinyl)propanoate
SMILESCOC(=O)C(C)n1cccc(N)c1=O
InChIInChI=1S/C9H12N2O3/c1-6(9(13)14-2)11-5-3-4-7(10)8(11)12/h3-6H,10H2,1-2H3
InChIKeyNHJUZEUOEADFTC-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.16
Rot. Bonds2

About methyl 2-(3-amino-2-oxo-1-pyridinyl)propanoate

methyl 2-(3-amino-2-oxo-1-pyridinyl)propanoate (PubChem CID 18469010) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is methyl 2-(3-amino-2-oxo-1-pyridinyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-amino-2-oxo-1-pyridinyl)propanoate
PubChem CID18469010
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Namemethyl 2-(3-amino-2-oxo-1-pyridinyl)propanoate
SMILESCOC(=O)C(C)n1cccc(N)c1=O
InChIInChI=1S/C9H12N2O3/c1-6(9(13)14-2)11-5-3-4-7(10)8(11)12/h3-6H,10H2,1-2H3
InChIKeyNHJUZEUOEADFTC-UHFFFAOYSA-N
XLogP0.16
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-amino-2-oxo-1-pyridinyl)propanoate?
The IUPAC name of methyl 2-(3-amino-2-oxo-1-pyridinyl)propanoate (CID 18469010) is methyl 2-(3-amino-2-oxo-1-pyridinyl)propanoate.
What is the SMILES notation for methyl 2-(3-amino-2-oxo-1-pyridinyl)propanoate?
The canonical SMILES for methyl 2-(3-amino-2-oxo-1-pyridinyl)propanoate is COC(=O)C(C)n1cccc(N)c1=O.
What is the InChIKey of methyl 2-(3-amino-2-oxo-1-pyridinyl)propanoate?
The InChIKey is NHJUZEUOEADFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-6(9(13)14-2)11-5-3-4-7(10)8(11)12/h3-6H,10H2,1-2H3.
What are the key properties of methyl 2-(3-amino-2-oxo-1-pyridinyl)propanoate?
methyl 2-(3-amino-2-oxo-1-pyridinyl)propanoate has a molecular weight of 196.21 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-amino-2-oxo-1-pyridinyl)propanoate is sourced from PubChem (CID 18469010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).