methyl 2-methyl-3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate

C12H17N3O4 — CID 55008400

IUPACmethyl 2-methyl-3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate
SMILESCOC(=O)C(C)CN(C)C(=O)Cn1cccnc1=O
InChIInChI=1S/C12H17N3O4/c1-9(11(17)19-3)7-14(2)10(16)8-15-6-4-5-13-12(15)18/h4-6,9H,7-8H2,1-3H3
InChIKeyNTKDZGCDIHZUGJ-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.49
Rot. Bonds5

About methyl 2-methyl-3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate

methyl 2-methyl-3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate (PubChem CID 55008400) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate
PubChem CID55008400
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Namemethyl 2-methyl-3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate
SMILESCOC(=O)C(C)CN(C)C(=O)Cn1cccnc1=O
InChIInChI=1S/C12H17N3O4/c1-9(11(17)19-3)7-14(2)10(16)8-15-6-4-5-13-12(15)18/h4-6,9H,7-8H2,1-3H3
InChIKeyNTKDZGCDIHZUGJ-UHFFFAOYSA-N
XLogP-0.49
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate (CID 55008400) is methyl 2-methyl-3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate is COC(=O)C(C)CN(C)C(=O)Cn1cccnc1=O.
What is the InChIKey of methyl 2-methyl-3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate?
The InChIKey is NTKDZGCDIHZUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-9(11(17)19-3)7-14(2)10(16)8-15-6-4-5-13-12(15)18/h4-6,9H,7-8H2,1-3H3.
What are the key properties of methyl 2-methyl-3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate?
methyl 2-methyl-3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate has a molecular weight of 267.28 g/mol, XLogP of -0.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate is sourced from PubChem (CID 55008400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).