(2S)-2-[[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid

C9H10FN3O5 — CID 57381976

IUPAC(2S)-2-[[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid
SMILESC[C@H](NC(=O)Cn1cc(F)c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C9H10FN3O5/c1-4(8(16)17)11-6(14)3-13-2-5(10)7(15)12-9(13)18/h2,4H,3H2,1H3,(H,11,14)(H,16,17)(H,12,15,18)/t4-/m0/s1
InChIKeyTURKCZRJGNRDGN-BYPYZUCNSA-N
MW259.19 g/mol
LogP-1.74
Rot. Bonds4

About (2S)-2-[[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid

(2S)-2-[[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid (PubChem CID 57381976) has the molecular formula C9H10FN3O5 and a molecular weight of 259.19 g/mol. Its IUPAC name is (2S)-2-[[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid
PubChem CID57381976
Molecular FormulaC9H10FN3O5
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Name(2S)-2-[[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid
SMILESC[C@H](NC(=O)Cn1cc(F)c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C9H10FN3O5/c1-4(8(16)17)11-6(14)3-13-2-5(10)7(15)12-9(13)18/h2,4H,3H2,1H3,(H,11,14)(H,16,17)(H,12,15,18)/t4-/m0/s1
InChIKeyTURKCZRJGNRDGN-BYPYZUCNSA-N
XLogP-1.74
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid with MolForge

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Related Compounds

(alphaS)-alpha-Amino-5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinepropanoic acid
CID 126569
[(1S)-1-carboxy-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl]azanium
CID 78224694
2-[[(2S)-2-aminopropanoyl]amino]-2-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)acetic acid
CID 510393
L-alanyl-2-(5-fluorouracil-1-yl)-D-glycine
CID 510392
2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)acetic acid
CID 16037827
(S)-3-(2-amino-2-carboxyethyl)-1-carboxymethylpyrimidine-2,4-dione
CID 10988917
(2R)-2-amino-3-[3-(carboxymethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid
CID 11010618
(2S)-2-amino-3-[3-(carboxymethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid
CID 11054302
(S)-2-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)propanamido)acetic acid
CID 44413656
(2S)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hexanoylamino)propanoic acid
CID 56774495
(2S)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-[(1-methylpiperidin-4-yl)amino]propanoic acid
CID 56774513
(2S)-2-(2,2-dimethylpropylamino)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid
CID 56774514

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid (CID 57381976) is (2S)-2-[[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid is C[C@H](NC(=O)Cn1cc(F)c(=O)[nH]c1=O)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The InChIKey is TURKCZRJGNRDGN-BYPYZUCNSA-N. The full InChI is InChI=1S/C9H10FN3O5/c1-4(8(16)17)11-6(14)3-13-2-5(10)7(15)12-9(13)18/h2,4H,3H2,1H3,(H,11,14)(H,16,17)(H,12,15,18)/t4-/m0/s1.
What are the key properties of (2S)-2-[[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid?
(2S)-2-[[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid has a molecular weight of 259.19 g/mol, XLogP of -1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 57381976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).