methyl 4-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate

C13H19N3O4 — CID 43431552

IUPACmethyl 4-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)Cn1cccnc1=O
InChIInChI=1S/C13H19N3O4/c1-9(2)7-10(12(18)20-3)15-11(17)8-16-6-4-5-14-13(16)19/h4-6,9-10H,7-8H2,1-3H3,(H,15,17)
InChIKeyLUXKRLBUGRTHBW-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.05
Rot. Bonds6

About methyl 4-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate

methyl 4-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate (PubChem CID 43431552) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 4-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate
PubChem CID43431552
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Namemethyl 4-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)Cn1cccnc1=O
InChIInChI=1S/C13H19N3O4/c1-9(2)7-10(12(18)20-3)15-11(17)8-16-6-4-5-14-13(16)19/h4-6,9-10H,7-8H2,1-3H3,(H,15,17)
InChIKeyLUXKRLBUGRTHBW-UHFFFAOYSA-N
XLogP-0.05
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate with MolForge

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Related Compounds

methyl (2S)-4-methyl-2-[[2-(4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]pentanoate
CID 56963837
methyl (2S)-4-methyl-2-[[2-(6-methyl-4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]pentanoate
CID 56963940
(2S)-4-methyl-2-(2H-pyrimidin-1-ylmethoxycarbonylamino)pentanoic acid
CID 142635089
methyl (2S)-4-methyl-2-[methyl(2H-pyrimidin-1-ylmethoxycarbonyl)amino]pentanoate
CID 142635094
4-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43170148
3-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43170393
3-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43356432
2-Cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43360373
Methyl 3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate
CID 43431554
Methyl 6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoate
CID 43431761
2-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43618689
Methyl 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate
CID 43623952

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate (CID 43431552) is methyl 4-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate is COC(=O)C(CC(C)C)NC(=O)Cn1cccnc1=O.
What is the InChIKey of methyl 4-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate?
The InChIKey is LUXKRLBUGRTHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-9(2)7-10(12(18)20-3)15-11(17)8-16-6-4-5-14-13(16)19/h4-6,9-10H,7-8H2,1-3H3,(H,15,17).
What are the key properties of methyl 4-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate?
methyl 4-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate has a molecular weight of 281.31 g/mol, XLogP of -0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate is sourced from PubChem (CID 43431552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).