5-[(5-methyl-2-pyridinyl)amino]-5-oxopentanoic acid

C11H14N2O3 — CID 1291657

IUPAC5-[(5-methyl-2-pyridinyl)amino]-5-oxopentanoic acid
SMILESCc1ccc(NC(=O)CCCC(=O)O)nc1
InChIInChI=1S/C11H14N2O3/c1-8-5-6-9(12-7-8)13-10(14)3-2-4-11(15)16/h5-7H,2-4H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyNTBKQGKIFJWNRW-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.58
Rot. Bonds5

About 5-[(5-methyl-2-pyridinyl)amino]-5-oxopentanoic acid

5-[(5-methyl-2-pyridinyl)amino]-5-oxopentanoic acid (PubChem CID 1291657) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 5-[(5-methyl-2-pyridinyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(5-methyl-2-pyridinyl)amino]-5-oxopentanoic acid
PubChem CID1291657
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name5-[(5-methyl-2-pyridinyl)amino]-5-oxopentanoic acid
SMILESCc1ccc(NC(=O)CCCC(=O)O)nc1
InChIInChI=1S/C11H14N2O3/c1-8-5-6-9(12-7-8)13-10(14)3-2-4-11(15)16/h5-7H,2-4H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyNTBKQGKIFJWNRW-UHFFFAOYSA-N
XLogP1.58
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.58
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-oxopentanoic acid?
The IUPAC name of 5-[(5-methyl-2-pyridinyl)amino]-5-oxopentanoic acid (CID 1291657) is 5-[(5-methyl-2-pyridinyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(5-methyl-2-pyridinyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(5-methyl-2-pyridinyl)amino]-5-oxopentanoic acid is Cc1ccc(NC(=O)CCCC(=O)O)nc1.
What is the InChIKey of 5-[(5-methyl-2-pyridinyl)amino]-5-oxopentanoic acid?
The InChIKey is NTBKQGKIFJWNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8-5-6-9(12-7-8)13-10(14)3-2-4-11(15)16/h5-7H,2-4H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 5-[(5-methyl-2-pyridinyl)amino]-5-oxopentanoic acid?
5-[(5-methyl-2-pyridinyl)amino]-5-oxopentanoic acid has a molecular weight of 222.24 g/mol, XLogP of 1.58, 5 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-oxopentanoic acid is sourced from PubChem (CID 1291657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).