methyl 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoate

C10H13N3O5 — CID 60704853

IUPACmethyl 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H13N3O5/c1-18-9(16)2-3-11-7(14)4-6-5-8(15)13-10(17)12-6/h5H,2-4H2,1H3,(H,11,14)(H2,12,13,15,17)
InChIKeyBQRFZSMXCJSIDL-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.72
Rot. Bonds5

About methyl 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoate

methyl 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoate (PubChem CID 60704853) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is methyl 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoate
PubChem CID60704853
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Namemethyl 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H13N3O5/c1-18-9(16)2-3-11-7(14)4-6-5-8(15)13-10(17)12-6/h5H,2-4H2,1H3,(H,11,14)(H2,12,13,15,17)
InChIKeyBQRFZSMXCJSIDL-UHFFFAOYSA-N
XLogP-1.72
TPSA121.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoate?
The IUPAC name of methyl 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoate (CID 60704853) is methyl 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoate is COC(=O)CCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of methyl 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoate?
The InChIKey is BQRFZSMXCJSIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-18-9(16)2-3-11-7(14)4-6-5-8(15)13-10(17)12-6/h5H,2-4H2,1H3,(H,11,14)(H2,12,13,15,17).
What are the key properties of methyl 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoate?
methyl 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoate has a molecular weight of 255.23 g/mol, XLogP of -1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoate is sourced from PubChem (CID 60704853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).