2-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid

C14H20N2O5 — CID 82056063

IUPAC2-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid
SMILESCCCCN(C)C(=O)COc1cccn(CC(=O)O)c1=O
InChIInChI=1S/C14H20N2O5/c1-3-4-7-15(2)12(17)10-21-11-6-5-8-16(14(11)20)9-13(18)19/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,18,19)
InChIKeySFSCZYUJMPZREI-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.57
Rot. Bonds8

About 2-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid

2-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid (PubChem CID 82056063) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid
PubChem CID82056063
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid
SMILESCCCCN(C)C(=O)COc1cccn(CC(=O)O)c1=O
InChIInChI=1S/C14H20N2O5/c1-3-4-7-15(2)12(17)10-21-11-6-5-8-16(14(11)20)9-13(18)19/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,18,19)
InChIKeySFSCZYUJMPZREI-UHFFFAOYSA-N
XLogP0.57
TPSA88.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid (CID 82056063) is 2-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid is CCCCN(C)C(=O)COc1cccn(CC(=O)O)c1=O.
What is the InChIKey of 2-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is SFSCZYUJMPZREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-3-4-7-15(2)12(17)10-21-11-6-5-8-16(14(11)20)9-13(18)19/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid?
2-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 296.32 g/mol, XLogP of 0.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 82056063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).