(2S)-2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid

C8H8FN3O5 — CID 11195934

IUPAC(2S)-2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid
SMILESN[C@@H](CC(=O)n1cc(F)c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C8H8FN3O5/c9-3-2-12(8(17)11-6(3)14)5(13)1-4(10)7(15)16/h2,4H,1,10H2,(H,15,16)(H,11,14,17)/t4-/m0/s1
InChIKeyGIJYPWWTFFKLAN-BYPYZUCNSA-N
MW245.17 g/mol
LogP-1.88
Rot. Bonds3

About (2S)-2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid

(2S)-2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid (PubChem CID 11195934) has the molecular formula C8H8FN3O5 and a molecular weight of 245.17 g/mol. Its IUPAC name is (2S)-2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid
PubChem CID11195934
Molecular FormulaC8H8FN3O5
Molecular Weight245.17 g/mol
Exact Mass245.04
IUPAC Name(2S)-2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid
SMILESN[C@@H](CC(=O)n1cc(F)c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C8H8FN3O5/c9-3-2-12(8(17)11-6(3)14)5(13)1-4(10)7(15)16/h2,4H,1,10H2,(H,15,16)(H,11,14,17)/t4-/m0/s1
InChIKeyGIJYPWWTFFKLAN-BYPYZUCNSA-N
XLogP-1.88
TPSA135.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.17
LogP ≤ 5-1.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid with MolForge

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Related Compounds

2-amino-4-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)butanoic acid
CID 289646
1-(3-Carboxypropylcarbamoyl)-5-fluorouracil
CID 129656
1-(3'-Amino-3'-carboxypropyl)uracil
CID 129661
(2S)-2-amino-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoic acid
CID 3246492
(2S,3S)-2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxybutanoic acid
CID 12151885
3-(Amino-3-carboxypropyl)uracil
CID 21924808
gamma-(n1-Uracilyl)-alpha-aminobutyric acid
CID 53462120
4-(5-Fluoro-2,4-dioxopyrimidin-1-yl)butanoic acid
CID 14551427
2-[[2-Amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoyl]amino]-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid
CID 58503432
3-Amino-4-[[1-carboxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 58503442
Methyl 2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoate
CID 58503444
2-Amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid
CID 58503446

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid?
The IUPAC name of (2S)-2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid (CID 11195934) is (2S)-2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid?
The canonical SMILES for (2S)-2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid is N[C@@H](CC(=O)n1cc(F)c(=O)[nH]c1=O)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid?
The InChIKey is GIJYPWWTFFKLAN-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H8FN3O5/c9-3-2-12(8(17)11-6(3)14)5(13)1-4(10)7(15)16/h2,4H,1,10H2,(H,15,16)(H,11,14,17)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid?
(2S)-2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid has a molecular weight of 245.17 g/mol, XLogP of -1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid is sourced from PubChem (CID 11195934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).