2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid

C14H18N2O6 — CID 108795013

IUPAC2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid
SMILESCc1cc(=O)cc(C)n1CC(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C14H18N2O6/c1-8-5-10(17)6-9(2)16(8)7-12(18)15-11(14(21)22)3-4-13(19)20/h5-6,11H,3-4,7H2,1-2H3,(H,15,18)(H,19,20)(H,21,22)
InChIKeyXLPDRVHIFJNYKP-UHFFFAOYSA-N
MW310.31 g/mol
LogP-0.10
Rot. Bonds7

About 2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid

2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid (PubChem CID 108795013) has the molecular formula C14H18N2O6 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid.

Molecular Properties

Compound Name2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid
PubChem CID108795013
Molecular FormulaC14H18N2O6
Molecular Weight310.31 g/mol
Exact Mass310.12
IUPAC Name2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid
SMILESCc1cc(=O)cc(C)n1CC(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C14H18N2O6/c1-8-5-10(17)6-9(2)16(8)7-12(18)15-11(14(21)22)3-4-13(19)20/h5-6,11H,3-4,7H2,1-2H3,(H,15,18)(H,19,20)(H,21,22)
InChIKeyXLPDRVHIFJNYKP-UHFFFAOYSA-N
XLogP-0.10
TPSA125.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid?
The IUPAC name of 2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid (CID 108795013) is 2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid.
What is the SMILES notation for 2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid?
The canonical SMILES for 2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid is Cc1cc(=O)cc(C)n1CC(=O)NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid?
The InChIKey is XLPDRVHIFJNYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O6/c1-8-5-10(17)6-9(2)16(8)7-12(18)15-11(14(21)22)3-4-13(19)20/h5-6,11H,3-4,7H2,1-2H3,(H,15,18)(H,19,20)(H,21,22).
What are the key properties of 2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid?
2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid has a molecular weight of 310.31 g/mol, XLogP of -0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid is sourced from PubChem (CID 108795013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).