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

C12H17N3O4 — CID 54899024

IUPACmethyl 3-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)Cn1cccnc1=O
InChIInChI=1S/C12H17N3O4/c1-3-14(8-5-11(17)19-2)10(16)9-15-7-4-6-13-12(15)18/h4,6-7H,3,5,8-9H2,1-2H3
InChIKeyWIWOPDFYSVSFNM-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.35
Rot. Bonds6

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

methyl 3-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate (PubChem CID 54899024) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 3-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate
PubChem CID54899024
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Namemethyl 3-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)Cn1cccnc1=O
InChIInChI=1S/C12H17N3O4/c1-3-14(8-5-11(17)19-2)10(16)9-15-7-4-6-13-12(15)18/h4,6-7H,3,5,8-9H2,1-2H3
InChIKeyWIWOPDFYSVSFNM-UHFFFAOYSA-N
XLogP-0.35
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate?
The IUPAC name of methyl 3-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate (CID 54899024) is methyl 3-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate is CCN(CCC(=O)OC)C(=O)Cn1cccnc1=O.
What is the InChIKey of methyl 3-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate?
The InChIKey is WIWOPDFYSVSFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-3-14(8-5-11(17)19-2)10(16)9-15-7-4-6-13-12(15)18/h4,6-7H,3,5,8-9H2,1-2H3.
What are the key properties of methyl 3-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate?
methyl 3-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate has a molecular weight of 267.28 g/mol, XLogP of -0.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate is sourced from PubChem (CID 54899024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).