methyl 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoate

C15H22N2O4 — CID 43431198

IUPACmethyl 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)CCn1ccccc1=O
InChIInChI=1S/C15H22N2O4/c1-11(2)10-12(15(20)21-3)16-13(18)7-9-17-8-5-4-6-14(17)19/h4-6,8,11-12H,7,9-10H2,1-3H3,(H,16,18)
InChIKeyNEBNTQDDCYVWFU-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.94
Rot. Bonds7

About methyl 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoate

methyl 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoate (PubChem CID 43431198) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoate
PubChem CID43431198
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Namemethyl 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)CCn1ccccc1=O
InChIInChI=1S/C15H22N2O4/c1-11(2)10-12(15(20)21-3)16-13(18)7-9-17-8-5-4-6-14(17)19/h4-6,8,11-12H,7,9-10H2,1-3H3,(H,16,18)
InChIKeyNEBNTQDDCYVWFU-UHFFFAOYSA-N
XLogP0.94
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoate (CID 43431198) is methyl 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoate is COC(=O)C(CC(C)C)NC(=O)CCn1ccccc1=O.
What is the InChIKey of methyl 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoate?
The InChIKey is NEBNTQDDCYVWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11(2)10-12(15(20)21-3)16-13(18)7-9-17-8-5-4-6-14(17)19/h4-6,8,11-12H,7,9-10H2,1-3H3,(H,16,18).
What are the key properties of methyl 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoate?
methyl 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoate has a molecular weight of 294.35 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoate is sourced from PubChem (CID 43431198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).