2-[2-methylpropyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid

C14H20N2O4 — CID 62033536

IUPAC2-[2-methylpropyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)CCn1ccccc1=O
InChIInChI=1S/C14H20N2O4/c1-11(2)9-16(10-14(19)20)13(18)6-8-15-7-4-3-5-12(15)17/h3-5,7,11H,6,8-10H2,1-2H3,(H,19,20)
InChIKeyGPLFPEGNLOHORA-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.81
Rot. Bonds7

About 2-[2-methylpropyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid

2-[2-methylpropyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid (PubChem CID 62033536) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[2-methylpropyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid
PubChem CID62033536
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[2-methylpropyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)CCn1ccccc1=O
InChIInChI=1S/C14H20N2O4/c1-11(2)9-16(10-14(19)20)13(18)6-8-15-7-4-3-5-12(15)17/h3-5,7,11H,6,8-10H2,1-2H3,(H,19,20)
InChIKeyGPLFPEGNLOHORA-UHFFFAOYSA-N
XLogP0.81
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid (CID 62033536) is 2-[2-methylpropyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)CCn1ccccc1=O.
What is the InChIKey of 2-[2-methylpropyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid?
The InChIKey is GPLFPEGNLOHORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-11(2)9-16(10-14(19)20)13(18)6-8-15-7-4-3-5-12(15)17/h3-5,7,11H,6,8-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-methylpropyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid?
2-[2-methylpropyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid has a molecular weight of 280.32 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid is sourced from PubChem (CID 62033536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).