5-(ethylamino)-5-oxo-2-pyridin-4-ylpentanoic acid

C12H16N2O3 — CID 112515614

IUPAC5-(ethylamino)-5-oxo-2-pyridin-4-ylpentanoic acid
SMILESCCNC(=O)CCC(C(=O)O)c1ccncc1
InChIInChI=1S/C12H16N2O3/c1-2-14-11(15)4-3-10(12(16)17)9-5-7-13-8-6-9/h5-8,10H,2-4H2,1H3,(H,14,15)(H,16,17)
InChIKeyVOZNBMODZPVIHH-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.17
Rot. Bonds6

About 5-(ethylamino)-5-oxo-2-pyridin-4-ylpentanoic acid

5-(ethylamino)-5-oxo-2-pyridin-4-ylpentanoic acid (PubChem CID 112515614) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-(ethylamino)-5-oxo-2-pyridin-4-ylpentanoic acid.

Molecular Properties

Compound Name5-(ethylamino)-5-oxo-2-pyridin-4-ylpentanoic acid
PubChem CID112515614
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-(ethylamino)-5-oxo-2-pyridin-4-ylpentanoic acid
SMILESCCNC(=O)CCC(C(=O)O)c1ccncc1
InChIInChI=1S/C12H16N2O3/c1-2-14-11(15)4-3-10(12(16)17)9-5-7-13-8-6-9/h5-8,10H,2-4H2,1H3,(H,14,15)(H,16,17)
InChIKeyVOZNBMODZPVIHH-UHFFFAOYSA-N
XLogP1.17
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-4-(propylamino)-2-pyridin-4-ylbutanoic acid
CID 112515602
N-ethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81409863
3-methylsulfanyl-2-pyridin-4-ylpropanoic acid
CID 117246613
2-(1-pyridin-4-ylethylamino)pentanoic acid
CID 65055511
pyrene;2-pyridin-4-ylhexanoic acid
CID 175281888
3-methylsulfonyl-2-pyridin-4-ylpropanoic acid
CID 117246574
3-(4-methylpentanoylamino)-2-phenylpropanoic acid
CID 62883511
2-(1-pyridin-4-ylethylcarbamoylamino)pentanoic acid
CID 61197706
3-(ethylamino)-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 81410608
2-amino-5-(ethylamino)-5-oxopentanoic acid;hydrochloride
CID 73408744
2-pyridin-4-ylbutanamide
CID 67405148
N-(1-pyridin-4-ylethyl)pentanamide
CID 17330746

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-5-oxo-2-pyridin-4-ylpentanoic acid?
The IUPAC name of 5-(ethylamino)-5-oxo-2-pyridin-4-ylpentanoic acid (CID 112515614) is 5-(ethylamino)-5-oxo-2-pyridin-4-ylpentanoic acid.
What is the SMILES notation for 5-(ethylamino)-5-oxo-2-pyridin-4-ylpentanoic acid?
The canonical SMILES for 5-(ethylamino)-5-oxo-2-pyridin-4-ylpentanoic acid is CCNC(=O)CCC(C(=O)O)c1ccncc1.
What is the InChIKey of 5-(ethylamino)-5-oxo-2-pyridin-4-ylpentanoic acid?
The InChIKey is VOZNBMODZPVIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-14-11(15)4-3-10(12(16)17)9-5-7-13-8-6-9/h5-8,10H,2-4H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-(ethylamino)-5-oxo-2-pyridin-4-ylpentanoic acid?
5-(ethylamino)-5-oxo-2-pyridin-4-ylpentanoic acid has a molecular weight of 236.27 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-5-oxo-2-pyridin-4-ylpentanoic acid is sourced from PubChem (CID 112515614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).