3-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid

C7H9N3O4 — CID 55255381

IUPAC3-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid
SMILESNC(CC(=O)O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H9N3O4/c8-4(1-5(11)12)3-2-9-7(14)10-6(3)13/h2,4H,1,8H2,(H,11,12)(H2,9,10,13,14)
InChIKeyCJEHDIPKDFBPJW-UHFFFAOYSA-N
MW199.17 g/mol
LogP-1.46
Rot. Bonds3

About 3-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid

3-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid (PubChem CID 55255381) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is 3-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid
PubChem CID55255381
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name3-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid
SMILESNC(CC(=O)O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H9N3O4/c8-4(1-5(11)12)3-2-9-7(14)10-6(3)13/h2,4H,1,8H2,(H,11,12)(H2,9,10,13,14)
InChIKeyCJEHDIPKDFBPJW-UHFFFAOYSA-N
XLogP-1.46
TPSA129.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid
CID 253740
2-Amino-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)propanoic acid hydrochloride
CID 138991852
3-(2,6-Dihydroxypyrimidine-5-yl)-alanine
CID 11390010
3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid
CID 18970257
3-amino-3-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid
CID 57107764
3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanoic acid
CID 150036761
3-(1-Chloro-2,4-dioxopyrimidin-5-yl)propanoic acid
CID 152429319
3-(methylamino)-3-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid
CID 174684760
[1-carboxy-2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]azanium
CID 21597478
5-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]pentanoic acid
CID 64059696
(2R)-2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid
CID 92162455
3-(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-acetamidopropanoic acid
CID 167720862

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid?
The IUPAC name of 3-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid (CID 55255381) is 3-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid.
What is the SMILES notation for 3-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid?
The canonical SMILES for 3-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid is NC(CC(=O)O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 3-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid?
The InChIKey is CJEHDIPKDFBPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4/c8-4(1-5(11)12)3-2-9-7(14)10-6(3)13/h2,4H,1,8H2,(H,11,12)(H2,9,10,13,14).
What are the key properties of 3-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid?
3-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid has a molecular weight of 199.17 g/mol, XLogP of -1.46, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid is sourced from PubChem (CID 55255381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).