5-oxo-5-(2-pyrimidin-4-ylethylamino)pentanoic acid

C11H15N3O3 — CID 123386386

IUPAC5-oxo-5-(2-pyrimidin-4-ylethylamino)pentanoic acid
SMILESO=C(O)CCCC(=O)NCCc1ccncn1
InChIInChI=1S/C11H15N3O3/c15-10(2-1-3-11(16)17)13-7-5-9-4-6-12-8-14-9/h4,6,8H,1-3,5,7H2,(H,13,15)(H,16,17)
InChIKeyJXWNZVOJBCQFBV-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.39
Rot. Bonds7

About 5-oxo-5-(2-pyrimidin-4-ylethylamino)pentanoic acid

5-oxo-5-(2-pyrimidin-4-ylethylamino)pentanoic acid (PubChem CID 123386386) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-oxo-5-(2-pyrimidin-4-ylethylamino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(2-pyrimidin-4-ylethylamino)pentanoic acid
PubChem CID123386386
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name5-oxo-5-(2-pyrimidin-4-ylethylamino)pentanoic acid
SMILESO=C(O)CCCC(=O)NCCc1ccncn1
InChIInChI=1S/C11H15N3O3/c15-10(2-1-3-11(16)17)13-7-5-9-4-6-12-8-14-9/h4,6,8H,1-3,5,7H2,(H,13,15)(H,16,17)
InChIKeyJXWNZVOJBCQFBV-UHFFFAOYSA-N
XLogP0.39
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(pyrimidin-4-ylmethylamino)butanoic acid
CID 62747116
5-oxo-5-(5-pyridin-2-ylpentylamino)pentanoic acid
CID 123323650
5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 104630849
N-(2-pyrimidin-4-ylethyl)formamide
CID 57044040
5-[2-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid
CID 94693925
6-(2-pyridin-2-ylethylcarbamoylamino)hexanoic acid
CID 61185229
6-[2-(2-methylpyrazol-3-yl)ethylamino]-6-oxohexanoic acid
CID 103004649
5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 78911171
methyl 6-pyrimidin-4-ylhexanoate
CID 155251569
7-[(2-pyridin-4-ylacetyl)amino]heptanoic acid
CID 24700548
4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056
6-[2-(4-aminophenyl)ethylamino]-6-oxohexanoic acid
CID 110483471

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(2-pyrimidin-4-ylethylamino)pentanoic acid?
The IUPAC name of 5-oxo-5-(2-pyrimidin-4-ylethylamino)pentanoic acid (CID 123386386) is 5-oxo-5-(2-pyrimidin-4-ylethylamino)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(2-pyrimidin-4-ylethylamino)pentanoic acid?
The canonical SMILES for 5-oxo-5-(2-pyrimidin-4-ylethylamino)pentanoic acid is O=C(O)CCCC(=O)NCCc1ccncn1.
What is the InChIKey of 5-oxo-5-(2-pyrimidin-4-ylethylamino)pentanoic acid?
The InChIKey is JXWNZVOJBCQFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-10(2-1-3-11(16)17)13-7-5-9-4-6-12-8-14-9/h4,6,8H,1-3,5,7H2,(H,13,15)(H,16,17).
What are the key properties of 5-oxo-5-(2-pyrimidin-4-ylethylamino)pentanoic acid?
5-oxo-5-(2-pyrimidin-4-ylethylamino)pentanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(2-pyrimidin-4-ylethylamino)pentanoic acid is sourced from PubChem (CID 123386386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).