(2R)-2-[[(2S)-2-aminopropanoyl]amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid

C9H11FN4O5 — CID 510392

IUPAC(2R)-2-[[(2S)-2-aminopropanoyl]amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid
SMILESC[C@H](N)C(=O)N[C@@H](C(=O)O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H11FN4O5/c1-3(11)6(15)12-5(8(17)18)14-2-4(10)7(16)13-9(14)19/h2-3,5H,11H2,1H3,(H,12,15)(H,17,18)(H,13,16,19)/t3-,5+/m0/s1
InChIKeyKIKHXLDDKLVSNQ-WVZVXSGGSA-N
MW274.21 g/mol
LogP-2.28
Rot. Bonds4

About (2R)-2-[[(2S)-2-aminopropanoyl]amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid

(2R)-2-[[(2S)-2-aminopropanoyl]amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid (PubChem CID 510392) has the molecular formula C9H11FN4O5 and a molecular weight of 274.21 g/mol. Its IUPAC name is (2R)-2-[[(2S)-2-aminopropanoyl]amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name(2R)-2-[[(2S)-2-aminopropanoyl]amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid
PubChem CID510392
Molecular FormulaC9H11FN4O5
Molecular Weight274.21 g/mol
Exact Mass274.07
IUPAC Name(2R)-2-[[(2S)-2-aminopropanoyl]amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid
SMILESC[C@H](N)C(=O)N[C@@H](C(=O)O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H11FN4O5/c1-3(11)6(15)12-5(8(17)18)14-2-4(10)7(16)13-9(14)19/h2-3,5H,11H2,1H3,(H,12,15)(H,17,18)(H,13,16,19)/t3-,5+/m0/s1
InChIKeyKIKHXLDDKLVSNQ-WVZVXSGGSA-N
XLogP-2.28
TPSA147.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 5-2.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[[(2S)-2-aminopropanoyl]amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(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
3-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)alanine
CID 1299
2(R)-(5-fluorouracil-1-yl)acetylglycin
CID 13876023

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-2-aminopropanoyl]amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid?
The IUPAC name of (2R)-2-[[(2S)-2-aminopropanoyl]amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid (CID 510392) is (2R)-2-[[(2S)-2-aminopropanoyl]amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid.
What is the SMILES notation for (2R)-2-[[(2S)-2-aminopropanoyl]amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid?
The canonical SMILES for (2R)-2-[[(2S)-2-aminopropanoyl]amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid is C[C@H](N)C(=O)N[C@@H](C(=O)O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of (2R)-2-[[(2S)-2-aminopropanoyl]amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid?
The InChIKey is KIKHXLDDKLVSNQ-WVZVXSGGSA-N. The full InChI is InChI=1S/C9H11FN4O5/c1-3(11)6(15)12-5(8(17)18)14-2-4(10)7(16)13-9(14)19/h2-3,5H,11H2,1H3,(H,12,15)(H,17,18)(H,13,16,19)/t3-,5+/m0/s1.
What are the key properties of (2R)-2-[[(2S)-2-aminopropanoyl]amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid?
(2R)-2-[[(2S)-2-aminopropanoyl]amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid has a molecular weight of 274.21 g/mol, XLogP of -2.28, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-2-aminopropanoyl]amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid is sourced from PubChem (CID 510392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).