methyl 3-(3-amino-4-oxo-1-pyridinyl)propanoate

C9H12N2O3 — CID 82992101

IUPACmethyl 3-(3-amino-4-oxo-1-pyridinyl)propanoate
SMILESCOC(=O)CCn1ccc(=O)c(N)c1
InChIInChI=1S/C9H12N2O3/c1-14-9(13)3-5-11-4-2-8(12)7(10)6-11/h2,4,6H,3,5,10H2,1H3
InChIKeyZHCBVAMSCYXSLI-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.01
Rot. Bonds3

About methyl 3-(3-amino-4-oxo-1-pyridinyl)propanoate

methyl 3-(3-amino-4-oxo-1-pyridinyl)propanoate (PubChem CID 82992101) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is methyl 3-(3-amino-4-oxo-1-pyridinyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-amino-4-oxo-1-pyridinyl)propanoate
PubChem CID82992101
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Namemethyl 3-(3-amino-4-oxo-1-pyridinyl)propanoate
SMILESCOC(=O)CCn1ccc(=O)c(N)c1
InChIInChI=1S/C9H12N2O3/c1-14-9(13)3-5-11-4-2-8(12)7(10)6-11/h2,4,6H,3,5,10H2,1H3
InChIKeyZHCBVAMSCYXSLI-UHFFFAOYSA-N
XLogP-0.01
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-amino-4-oxo-1-pyridinyl)propanoate?
The IUPAC name of methyl 3-(3-amino-4-oxo-1-pyridinyl)propanoate (CID 82992101) is methyl 3-(3-amino-4-oxo-1-pyridinyl)propanoate.
What is the SMILES notation for methyl 3-(3-amino-4-oxo-1-pyridinyl)propanoate?
The canonical SMILES for methyl 3-(3-amino-4-oxo-1-pyridinyl)propanoate is COC(=O)CCn1ccc(=O)c(N)c1.
What is the InChIKey of methyl 3-(3-amino-4-oxo-1-pyridinyl)propanoate?
The InChIKey is ZHCBVAMSCYXSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-14-9(13)3-5-11-4-2-8(12)7(10)6-11/h2,4,6H,3,5,10H2,1H3.
What are the key properties of methyl 3-(3-amino-4-oxo-1-pyridinyl)propanoate?
methyl 3-(3-amino-4-oxo-1-pyridinyl)propanoate has a molecular weight of 196.21 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-amino-4-oxo-1-pyridinyl)propanoate is sourced from PubChem (CID 82992101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).