methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetate

C8H9N3O5 — CID 43404741

IUPACmethyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H9N3O5/c1-16-5(12)3-9-6(13)4-2-10-8(15)11-7(4)14/h2H,3H2,1H3,(H,9,13)(H2,10,11,14,15)
InChIKeyVUJXYPKNZCVNJY-UHFFFAOYSA-N
MW227.18 g/mol
LogP-2.03
Rot. Bonds3

About methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetate

methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetate (PubChem CID 43404741) has the molecular formula C8H9N3O5 and a molecular weight of 227.18 g/mol. Its IUPAC name is methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetate
PubChem CID43404741
Molecular FormulaC8H9N3O5
Molecular Weight227.18 g/mol
Exact Mass227.05
IUPAC Namemethyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H9N3O5/c1-16-5(12)3-9-6(13)4-2-10-8(15)11-7(4)14/h2H,3H2,1H3,(H,9,13)(H2,10,11,14,15)
InChIKeyVUJXYPKNZCVNJY-UHFFFAOYSA-N
XLogP-2.03
TPSA121.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 5-2.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 565853
methyl N-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)carbamate
CID 901779
Ethyl 2-[5-[2-[2-[[1-(2-ethoxy-2-oxoethyl)-2,4-dioxopyrimidine-5-carbonyl]amino]ethoxy]ethylcarbamoyl]-2,4-dioxopyrimidin-1-yl]acetate
CID 25185738
Methyl 2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetate
CID 3757668
(6-Hydroxy-1,3-Dimethyl-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidine-5-Carbonyl)glycine
CID 131700132
methyl 3-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoate
CID 69940201
Ethyl (2,4-dihydroxy-5-pyrimidinyl)carbonylcarbamate
CID 367417
Propyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 68674508
Ethyl 2-[5-(aminomethyl)-2,4-dioxopyrimidin-1-yl]acetate
CID 123627599
Ethyl 2-[5-(azidomethyl)-2,4-dioxopyrimidin-1-yl]acetate
CID 123865401
2-[(2-Methoxy-2-oxoethyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylazanium
CID 134866140
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258128

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetate (CID 43404741) is methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetate is COC(=O)CNC(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetate?
The InChIKey is VUJXYPKNZCVNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O5/c1-16-5(12)3-9-6(13)4-2-10-8(15)11-7(4)14/h2H,3H2,1H3,(H,9,13)(H2,10,11,14,15).
What are the key properties of methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetate?
methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetate has a molecular weight of 227.18 g/mol, XLogP of -2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetate is sourced from PubChem (CID 43404741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).