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

C13H19N3O4 — CID 43623952

IUPACmethyl 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate
SMILESCCCC(C)(NC(=O)Cn1cccnc1=O)C(=O)OC
InChIInChI=1S/C13H19N3O4/c1-4-6-13(2,11(18)20-3)15-10(17)9-16-8-5-7-14-12(16)19/h5,7-8H,4,6,9H2,1-3H3,(H,15,17)
InChIKeyNVYYNEBEDAZBJG-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.09
Rot. Bonds6

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

methyl 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate (PubChem CID 43623952) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate
PubChem CID43623952
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Namemethyl 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate
SMILESCCCC(C)(NC(=O)Cn1cccnc1=O)C(=O)OC
InChIInChI=1S/C13H19N3O4/c1-4-6-13(2,11(18)20-3)15-10(17)9-16-8-5-7-14-12(16)19/h5,7-8H,4,6,9H2,1-3H3,(H,15,17)
InChIKeyNVYYNEBEDAZBJG-UHFFFAOYSA-N
XLogP0.09
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 ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

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]pentanoic acid
CID 43356432
2-Cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43360373
Methyl 4-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate
CID 43431552
Methyl 3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate
CID 43431554
2-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43618689
Methyl 4-methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylate
CID 51090988
(2S)-4-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 61136658
(2S,3S)-3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 61136812
(2S)-3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 61172219
4-Methyl-4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 62043718

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate?
The IUPAC name of methyl 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate (CID 43623952) is methyl 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate is CCCC(C)(NC(=O)Cn1cccnc1=O)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate?
The InChIKey is NVYYNEBEDAZBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-4-6-13(2,11(18)20-3)15-10(17)9-16-8-5-7-14-12(16)19/h5,7-8H,4,6,9H2,1-3H3,(H,15,17).
What are the key properties of methyl 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate?
methyl 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate has a molecular weight of 281.31 g/mol, XLogP of 0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate is sourced from PubChem (CID 43623952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).