(2S)-2-(cyclopropanecarbonylamino)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid

C11H12FN3O5 — CID 56774497

IUPAC(2S)-2-(cyclopropanecarbonylamino)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid
SMILESO=C(N[C@@H](Cn1cc(F)c(=O)[nH]c1=O)C(=O)O)C1CC1
InChIInChI=1S/C11H12FN3O5/c12-6-3-15(11(20)14-9(6)17)4-7(10(18)19)13-8(16)5-1-2-5/h3,5,7H,1-2,4H2,(H,13,16)(H,18,19)(H,14,17,20)/t7-/m0/s1
InChIKeyQKCUDEFMAXKUIA-ZETCQYMHSA-N
MW285.23 g/mol
LogP-1.34
Rot. Bonds5

About (2S)-2-(cyclopropanecarbonylamino)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid

(2S)-2-(cyclopropanecarbonylamino)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid (PubChem CID 56774497) has the molecular formula C11H12FN3O5 and a molecular weight of 285.23 g/mol. Its IUPAC name is (2S)-2-(cyclopropanecarbonylamino)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(cyclopropanecarbonylamino)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid
PubChem CID56774497
Molecular FormulaC11H12FN3O5
Molecular Weight285.23 g/mol
Exact Mass285.08
IUPAC Name(2S)-2-(cyclopropanecarbonylamino)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid
SMILESO=C(N[C@@H](Cn1cc(F)c(=O)[nH]c1=O)C(=O)O)C1CC1
InChIInChI=1S/C11H12FN3O5/c12-6-3-15(11(20)14-9(6)17)4-7(10(18)19)13-8(16)5-1-2-5/h3,5,7H,1-2,4H2,(H,13,16)(H,18,19)(H,14,17,20)/t7-/m0/s1
InChIKeyQKCUDEFMAXKUIA-ZETCQYMHSA-N
XLogP-1.34
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(cyclopropanecarbonylamino)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic 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

3-(5-chloro-2,4-dioxopyrimidin-1-yl)-2-(cyclopentanecarbonylamino)propanoic acid
CID 162789632
(2S)-3-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-(cyclopentanecarbonylamino)propanoic acid
CID 56774544
(2S)-2-(cyclobutanecarbonylamino)-3-(2,4-dioxo-5-pyrimidin-5-ylpyrimidin-1-yl)propanoic acid
CID 56774455
(5-fluoro-2,4-dioxopyrimidin-1-yl)methylurea
CID 70581549
(2R)-2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 97271919
(2S)-3-(5-chloro-2,4-dioxopyrimidin-1-yl)-2-(furan-2-carbonylamino)propanoic acid
CID 56774462
1-[[1,2-bis(hydroxymethyl)cyclopropyl]methyl]-5-fluoropyrimidine-2,4-dione
CID 18984558
5-fluoro-1-(2-hydroxyoctyl)pyrimidine-2,4-dione
CID 11322863
5-fluoro-1-(2-oxo-3-phenylpropyl)pyrimidine-2,4-dione
CID 55219097
5-fluoro-1-(3-methoxy-2-oxopropyl)pyrimidine-2,4-dione
CID 107507774
5-fluoro-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidine-2,4-dione
CID 55220462
5-fluoro-1-[[(1S,3S)-2,2,3-trihydroxycyclobutyl]methyl]pyrimidine-2,4-dione
CID 86579074

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclopropanecarbonylamino)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid?
The IUPAC name of (2S)-2-(cyclopropanecarbonylamino)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid (CID 56774497) is (2S)-2-(cyclopropanecarbonylamino)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid.
What is the SMILES notation for (2S)-2-(cyclopropanecarbonylamino)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid?
The canonical SMILES for (2S)-2-(cyclopropanecarbonylamino)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid is O=C(N[C@@H](Cn1cc(F)c(=O)[nH]c1=O)C(=O)O)C1CC1.
What is the InChIKey of (2S)-2-(cyclopropanecarbonylamino)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid?
The InChIKey is QKCUDEFMAXKUIA-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12FN3O5/c12-6-3-15(11(20)14-9(6)17)4-7(10(18)19)13-8(16)5-1-2-5/h3,5,7H,1-2,4H2,(H,13,16)(H,18,19)(H,14,17,20)/t7-/m0/s1.
What are the key properties of (2S)-2-(cyclopropanecarbonylamino)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid?
(2S)-2-(cyclopropanecarbonylamino)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid has a molecular weight of 285.23 g/mol, XLogP of -1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclopropanecarbonylamino)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid is sourced from PubChem (CID 56774497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).