methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpentanoate

C13H19N3O5 — CID 43623937

IUPACmethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)OC
InChIInChI=1S/C13H19N3O5/c1-4-5-13(2,11(19)21-3)16-10(18)7-8-6-9(17)15-12(20)14-8/h6H,4-5,7H2,1-3H3,(H,16,18)(H2,14,15,17,20)
InChIKeyPAXQAVWVYDTXDW-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.55
Rot. Bonds6

About methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpentanoate

methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpentanoate (PubChem CID 43623937) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpentanoate
PubChem CID43623937
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Namemethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)OC
InChIInChI=1S/C13H19N3O5/c1-4-5-13(2,11(19)21-3)16-10(18)7-8-6-9(17)15-12(20)14-8/h6H,4-5,7H2,1-3H3,(H,16,18)(H2,14,15,17,20)
InChIKeyPAXQAVWVYDTXDW-UHFFFAOYSA-N
XLogP-0.55
TPSA121.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpentanoate with MolForge

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Related Compounds

2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid
CID 43172585
methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-methylbutanoate
CID 43409264
methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methylpentanoate
CID 43409737
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpentanoic acid
CID 43618829
methyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpentanoate
CID 43623898
methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoate
CID 43623949
4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methylpentanoic acid
CID 62042414
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylbutanoic acid
CID 79792342
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-ethylbutanoic acid
CID 79806622
1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81157684

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpentanoate?
The IUPAC name of methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpentanoate (CID 43623937) is methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpentanoate is CCCC(C)(NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)OC.
What is the InChIKey of methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpentanoate?
The InChIKey is PAXQAVWVYDTXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-4-5-13(2,11(19)21-3)16-10(18)7-8-6-9(17)15-12(20)14-8/h6H,4-5,7H2,1-3H3,(H,16,18)(H2,14,15,17,20).
What are the key properties of methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpentanoate?
methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpentanoate has a molecular weight of 297.31 g/mol, XLogP of -0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpentanoate is sourced from PubChem (CID 43623937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).