5-[(5-methyl-2-pyridinyl)amino]-5-oxo-3-phenylpentanoic acid

C17H18N2O3 — CID 2812795

IUPAC5-[(5-methyl-2-pyridinyl)amino]-5-oxo-3-phenylpentanoic acid
SMILESCc1ccc(NC(=O)CC(CC(=O)O)c2ccccc2)nc1
InChIInChI=1S/C17H18N2O3/c1-12-7-8-15(18-11-12)19-16(20)9-14(10-17(21)22)13-5-3-2-4-6-13/h2-8,11,14H,9-10H2,1H3,(H,21,22)(H,18,19,20)
InChIKeyOGKSPHPRUHAPHE-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.98
Rot. Bonds6

About 5-[(5-methyl-2-pyridinyl)amino]-5-oxo-3-phenylpentanoic acid

5-[(5-methyl-2-pyridinyl)amino]-5-oxo-3-phenylpentanoic acid (PubChem CID 2812795) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 5-[(5-methyl-2-pyridinyl)amino]-5-oxo-3-phenylpentanoic acid.

Molecular Properties

Compound Name5-[(5-methyl-2-pyridinyl)amino]-5-oxo-3-phenylpentanoic acid
PubChem CID2812795
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name5-[(5-methyl-2-pyridinyl)amino]-5-oxo-3-phenylpentanoic acid
SMILESCc1ccc(NC(=O)CC(CC(=O)O)c2ccccc2)nc1
InChIInChI=1S/C17H18N2O3/c1-12-7-8-15(18-11-12)19-16(20)9-14(10-17(21)22)13-5-3-2-4-6-13/h2-8,11,14H,9-10H2,1H3,(H,21,22)(H,18,19,20)
InChIKeyOGKSPHPRUHAPHE-UHFFFAOYSA-N
XLogP2.98
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-2-pyridinyl)amino]-5-oxo-3-phenylpentanoic acid?
The IUPAC name of 5-[(5-methyl-2-pyridinyl)amino]-5-oxo-3-phenylpentanoic acid (CID 2812795) is 5-[(5-methyl-2-pyridinyl)amino]-5-oxo-3-phenylpentanoic acid.
What is the SMILES notation for 5-[(5-methyl-2-pyridinyl)amino]-5-oxo-3-phenylpentanoic acid?
The canonical SMILES for 5-[(5-methyl-2-pyridinyl)amino]-5-oxo-3-phenylpentanoic acid is Cc1ccc(NC(=O)CC(CC(=O)O)c2ccccc2)nc1.
What is the InChIKey of 5-[(5-methyl-2-pyridinyl)amino]-5-oxo-3-phenylpentanoic acid?
The InChIKey is OGKSPHPRUHAPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-7-8-15(18-11-12)19-16(20)9-14(10-17(21)22)13-5-3-2-4-6-13/h2-8,11,14H,9-10H2,1H3,(H,21,22)(H,18,19,20).
What are the key properties of 5-[(5-methyl-2-pyridinyl)amino]-5-oxo-3-phenylpentanoic acid?
5-[(5-methyl-2-pyridinyl)amino]-5-oxo-3-phenylpentanoic acid has a molecular weight of 298.34 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-2-pyridinyl)amino]-5-oxo-3-phenylpentanoic acid is sourced from PubChem (CID 2812795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).