2-[5-(2-chloro-3-fluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetic acid

C16H16ClFN2O5 — CID 134261752

IUPAC2-[5-(2-chloro-3-fluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetic acid
SMILESCOC[C@@H](C)n1c(=O)c(-c2cccc(F)c2Cl)cn(CC(=O)O)c1=O
InChIInChI=1S/C16H16ClFN2O5/c1-9(8-25-2)20-15(23)11(6-19(16(20)24)7-13(21)22)10-4-3-5-12(18)14(10)17/h3-6,9H,7-8H2,1-2H3,(H,21,22)/t9-/m1/s1
InChIKeyFRAXAEKAWJJWJH-SECBINFHSA-N
MW370.76 g/mol
LogP1.76
Rot. Bonds6

About 2-[5-(2-chloro-3-fluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetic acid

2-[5-(2-chloro-3-fluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetic acid (PubChem CID 134261752) has the molecular formula C16H16ClFN2O5 and a molecular weight of 370.76 g/mol. Its IUPAC name is 2-[5-(2-chloro-3-fluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-chloro-3-fluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetic acid
PubChem CID134261752
Molecular FormulaC16H16ClFN2O5
Molecular Weight370.76 g/mol
Exact Mass370.07
IUPAC Name2-[5-(2-chloro-3-fluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetic acid
SMILESCOC[C@@H](C)n1c(=O)c(-c2cccc(F)c2Cl)cn(CC(=O)O)c1=O
InChIInChI=1S/C16H16ClFN2O5/c1-9(8-25-2)20-15(23)11(6-19(16(20)24)7-13(21)22)10-4-3-5-12(18)14(10)17/h3-6,9H,7-8H2,1-2H3,(H,21,22)/t9-/m1/s1
InChIKeyFRAXAEKAWJJWJH-SECBINFHSA-N
XLogP1.76
TPSA90.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.76
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chloro-3-fluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetic acid?
The IUPAC name of 2-[5-(2-chloro-3-fluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetic acid (CID 134261752) is 2-[5-(2-chloro-3-fluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-chloro-3-fluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetic acid?
The canonical SMILES for 2-[5-(2-chloro-3-fluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetic acid is COC[C@@H](C)n1c(=O)c(-c2cccc(F)c2Cl)cn(CC(=O)O)c1=O.
What is the InChIKey of 2-[5-(2-chloro-3-fluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetic acid?
The InChIKey is FRAXAEKAWJJWJH-SECBINFHSA-N. The full InChI is InChI=1S/C16H16ClFN2O5/c1-9(8-25-2)20-15(23)11(6-19(16(20)24)7-13(21)22)10-4-3-5-12(18)14(10)17/h3-6,9H,7-8H2,1-2H3,(H,21,22)/t9-/m1/s1.
What are the key properties of 2-[5-(2-chloro-3-fluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetic acid?
2-[5-(2-chloro-3-fluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetic acid has a molecular weight of 370.76 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chloro-3-fluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetic acid is sourced from PubChem (CID 134261752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).