ethyl 3-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]propanoate

C10H13N3O4 — CID 136614759

IUPACethyl 3-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1cc(=O)[nH]cn1
InChIInChI=1S/C10H13N3O4/c1-2-17-9(15)3-4-11-10(16)7-5-8(14)13-6-12-7/h5-6H,2-4H2,1H3,(H,11,16)(H,12,13,14)
InChIKeyBISWUBPTTDGBCY-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.55
Rot. Bonds5

About ethyl 3-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]propanoate

ethyl 3-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]propanoate (PubChem CID 136614759) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is ethyl 3-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]propanoate
PubChem CID136614759
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Nameethyl 3-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1cc(=O)[nH]cn1
InChIInChI=1S/C10H13N3O4/c1-2-17-9(15)3-4-11-10(16)7-5-8(14)13-6-12-7/h5-6H,2-4H2,1H3,(H,11,16)(H,12,13,14)
InChIKeyBISWUBPTTDGBCY-UHFFFAOYSA-N
XLogP-0.55
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]propanoate?
The IUPAC name of ethyl 3-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]propanoate (CID 136614759) is ethyl 3-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]propanoate is CCOC(=O)CCNC(=O)c1cc(=O)[nH]cn1.
What is the InChIKey of ethyl 3-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]propanoate?
The InChIKey is BISWUBPTTDGBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-2-17-9(15)3-4-11-10(16)7-5-8(14)13-6-12-7/h5-6H,2-4H2,1H3,(H,11,16)(H,12,13,14).
What are the key properties of ethyl 3-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]propanoate?
ethyl 3-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]propanoate has a molecular weight of 239.23 g/mol, XLogP of -0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]propanoate is sourced from PubChem (CID 136614759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).