methyl 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate

C9H11N3O5 — CID 60637217

IUPACmethyl 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H11N3O5/c1-17-7(14)2-3-10-8(15)5-4-6(13)12-9(16)11-5/h4H,2-3H2,1H3,(H,10,15)(H2,11,12,13,16)
InChIKeyOQKCUQQTEDLJJP-UHFFFAOYSA-N
MW241.20 g/mol
LogP-1.64
Rot. Bonds4

About methyl 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate

methyl 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate (PubChem CID 60637217) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is methyl 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate
PubChem CID60637217
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Namemethyl 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H11N3O5/c1-17-7(14)2-3-10-8(15)5-4-6(13)12-9(16)11-5/h4H,2-3H2,1H3,(H,10,15)(H2,11,12,13,16)
InChIKeyOQKCUQQTEDLJJP-UHFFFAOYSA-N
XLogP-1.64
TPSA121.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate with MolForge

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Related Compounds

3-[(2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)formamido]propanoic acid
CID 1272738
Orotylglycine ethyl ester
CID 60810834
3-(6-Methyluracilyl)alanine
CID 129691432
Ethyl 3-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)amino]-3-oxopropanoate
CID 134870285
Methyl 3-[[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoate
CID 101652519
n-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
CID 236624
3-[(2,6-Dioxo-1,3-dihydropyrimidin-4-yl)carbonylamino]propanoic acid
CID 1272737
4-{[(2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]amino}butanoate
CID 1761611
sodium 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoic acid
CID 126478533
sodium 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate
CID 146120967
sodium 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoate
CID 163331062
Alanine, N-orotoyl-
CID 24691931

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate (CID 60637217) is methyl 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate is COC(=O)CCNC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of methyl 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate?
The InChIKey is OQKCUQQTEDLJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5/c1-17-7(14)2-3-10-8(15)5-4-6(13)12-9(16)11-5/h4H,2-3H2,1H3,(H,10,15)(H2,11,12,13,16).
What are the key properties of methyl 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate?
methyl 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate has a molecular weight of 241.20 g/mol, XLogP of -1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoate is sourced from PubChem (CID 60637217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).