4-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]butanoic acid

C11H14N2O5 — CID 82056179

IUPAC4-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]butanoic acid
SMILESNC(=O)COc1cccn(CCCC(=O)O)c1=O
InChIInChI=1S/C11H14N2O5/c12-9(14)7-18-8-3-1-5-13(11(8)17)6-2-4-10(15)16/h1,3,5H,2,4,6-7H2,(H2,12,14)(H,15,16)
InChIKeyANDZTDYKHLEVPY-UHFFFAOYSA-N
MW254.24 g/mol
LogP-0.42
Rot. Bonds7

About 4-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]butanoic acid

4-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]butanoic acid (PubChem CID 82056179) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 4-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]butanoic acid.

Molecular Properties

Compound Name4-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]butanoic acid
PubChem CID82056179
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name4-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]butanoic acid
SMILESNC(=O)COc1cccn(CCCC(=O)O)c1=O
InChIInChI=1S/C11H14N2O5/c12-9(14)7-18-8-3-1-5-13(11(8)17)6-2-4-10(15)16/h1,3,5H,2,4,6-7H2,(H2,12,14)(H,15,16)
InChIKeyANDZTDYKHLEVPY-UHFFFAOYSA-N
XLogP-0.42
TPSA111.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]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

Related Compounds

CID 10330335
CID 10330335
CID 70037041
CID 70037041
CID 82056158
CID 82056158
CID 82056059
CID 82056059
CID 82056065
CID 82056065
CID 82056104
CID 82056104
CID 82056108
CID 82056108
CID 82056141
CID 82056141
CID 82056143
CID 82056143
CID 82056144
CID 82056144
CID 82056145
CID 82056145
CID 82056162
CID 82056162

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]butanoic acid?
The IUPAC name of 4-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]butanoic acid (CID 82056179) is 4-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]butanoic acid.
What is the SMILES notation for 4-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]butanoic acid?
The canonical SMILES for 4-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]butanoic acid is NC(=O)COc1cccn(CCCC(=O)O)c1=O.
What is the InChIKey of 4-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]butanoic acid?
The InChIKey is ANDZTDYKHLEVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c12-9(14)7-18-8-3-1-5-13(11(8)17)6-2-4-10(15)16/h1,3,5H,2,4,6-7H2,(H2,12,14)(H,15,16).
What are the key properties of 4-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]butanoic acid?
4-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]butanoic acid has a molecular weight of 254.24 g/mol, XLogP of -0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]butanoic acid is sourced from PubChem (CID 82056179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).