(2S)-3-(2,4-dioxopyrimidin-1-yl)-2-hydroxypropanoate

C7H7N2O5- — CID 7297618

IUPAC(2S)-3-(2,4-dioxopyrimidin-1-yl)-2-hydroxypropanoate
SMILESO=C([O-])[C@@H](O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O5/c10-4(6(12)13)3-9-2-1-5(11)8-7(9)14/h1-2,4,10H,3H2,(H,12,13)(H,8,11,14)/p-1/t4-/m0/s1
InChIKeyUKDKLERRUBDEEP-BYPYZUCNSA-M
MW199.14 g/mol
LogP-3.35
Rot. Bonds3

About (2S)-3-(2,4-dioxopyrimidin-1-yl)-2-hydroxypropanoate

(2S)-3-(2,4-dioxopyrimidin-1-yl)-2-hydroxypropanoate (PubChem CID 7297618) has the molecular formula C7H7N2O5- and a molecular weight of 199.14 g/mol. Its IUPAC name is (2S)-3-(2,4-dioxopyrimidin-1-yl)-2-hydroxypropanoate.

Molecular Properties

Compound Name(2S)-3-(2,4-dioxopyrimidin-1-yl)-2-hydroxypropanoate
PubChem CID7297618
Molecular FormulaC7H7N2O5-
Molecular Weight199.14 g/mol
Exact Mass199.04
IUPAC Name(2S)-3-(2,4-dioxopyrimidin-1-yl)-2-hydroxypropanoate
SMILESO=C([O-])[C@@H](O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O5/c10-4(6(12)13)3-9-2-1-5(11)8-7(9)14/h1-2,4,10H,3H2,(H,12,13)(H,8,11,14)/p-1/t4-/m0/s1
InChIKeyUKDKLERRUBDEEP-BYPYZUCNSA-M
XLogP-3.35
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.14
LogP ≤ 5-3.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,2-dihydroxyethyl)pyrimidine-2,4-dione
CID 131057862
2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid;hydrate
CID 6431744
disodium;1-[2-hydroxy-3-(phosphonatomethylamino)propyl]pyrimidine-2,4-dione
CID 11500754
4-(2,4-dioxopyrimidin-1-yl)butanoate
CID 6954146
1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione
CID 57209539
1-(selanylmethyl)pyrimidine-2,4-dione
CID 173469434
1-(5-hydroxyhexyl)pyrimidine-2,4-dione
CID 23287951
2-amino-4-(2,4-dioxopyrimidin-1-yl)butanoic acid
CID 53462120
(2S)-4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-hydroxybutanoic acid
CID 107834517
2-benzamido-3-(2,4-dioxopyrimidin-1-yl)propanoic acid
CID 162789611
2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 83030551
8-(2,4-dioxopyrimidin-1-yl)octyl propanoate
CID 169034530

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2,4-dioxopyrimidin-1-yl)-2-hydroxypropanoate?
The IUPAC name of (2S)-3-(2,4-dioxopyrimidin-1-yl)-2-hydroxypropanoate (CID 7297618) is (2S)-3-(2,4-dioxopyrimidin-1-yl)-2-hydroxypropanoate.
What is the SMILES notation for (2S)-3-(2,4-dioxopyrimidin-1-yl)-2-hydroxypropanoate?
The canonical SMILES for (2S)-3-(2,4-dioxopyrimidin-1-yl)-2-hydroxypropanoate is O=C([O-])[C@@H](O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of (2S)-3-(2,4-dioxopyrimidin-1-yl)-2-hydroxypropanoate?
The InChIKey is UKDKLERRUBDEEP-BYPYZUCNSA-M. The full InChI is InChI=1S/C7H8N2O5/c10-4(6(12)13)3-9-2-1-5(11)8-7(9)14/h1-2,4,10H,3H2,(H,12,13)(H,8,11,14)/p-1/t4-/m0/s1.
What are the key properties of (2S)-3-(2,4-dioxopyrimidin-1-yl)-2-hydroxypropanoate?
(2S)-3-(2,4-dioxopyrimidin-1-yl)-2-hydroxypropanoate has a molecular weight of 199.14 g/mol, XLogP of -3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2,4-dioxopyrimidin-1-yl)-2-hydroxypropanoate is sourced from PubChem (CID 7297618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).