methyl (2S)-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoate

C11H15N3O5 — CID 70131107

IUPACmethyl (2S)-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O5/c1-6-4-14(11(18)13-9(6)16)5-8(15)12-7(2)10(17)19-3/h4,7H,5H2,1-3H3,(H,12,15)(H,13,16,18)/t7-/m0/s1
InChIKeyFUXAVDCPIMNPJG-ZETCQYMHSA-N
MW269.26 g/mol
LogP-1.48
Rot. Bonds4

About methyl (2S)-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoate

methyl (2S)-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoate (PubChem CID 70131107) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is methyl (2S)-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoate
PubChem CID70131107
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Namemethyl (2S)-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O5/c1-6-4-14(11(18)13-9(6)16)5-8(15)12-7(2)10(17)19-3/h4,7H,5H2,1-3H3,(H,12,15)(H,13,16,18)/t7-/m0/s1
InChIKeyFUXAVDCPIMNPJG-ZETCQYMHSA-N
XLogP-1.48
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoate (CID 70131107) is methyl (2S)-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoate is COC(=O)[C@H](C)NC(=O)Cn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of methyl (2S)-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoate?
The InChIKey is FUXAVDCPIMNPJG-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-6-4-14(11(18)13-9(6)16)5-8(15)12-7(2)10(17)19-3/h4,7H,5H2,1-3H3,(H,12,15)(H,13,16,18)/t7-/m0/s1.
What are the key properties of methyl (2S)-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoate?
methyl (2S)-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoate has a molecular weight of 269.26 g/mol, XLogP of -1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoate is sourced from PubChem (CID 70131107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).