2-[[1-cyclohexyl-3-[(2-fluorophenyl)methyl]-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid

C20H22FN3O6 — CID 24829566

IUPAC2-[[1-cyclohexyl-3-[(2-fluorophenyl)methyl]-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)n(Cc2ccccc2F)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C20H22FN3O6/c21-14-9-5-4-6-12(14)11-23-18(28)16(17(27)22-10-15(25)26)19(29)24(20(23)30)13-7-2-1-3-8-13/h4-6,9,13,28H,1-3,7-8,10-11H2,(H,22,27)(H,25,26)
InChIKeyXFBXINTYOMOQEL-UHFFFAOYSA-N
MW419.41 g/mol
LogP1.22
Rot. Bonds6

About 2-[[1-cyclohexyl-3-[(2-fluorophenyl)methyl]-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid

2-[[1-cyclohexyl-3-[(2-fluorophenyl)methyl]-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid (PubChem CID 24829566) has the molecular formula C20H22FN3O6 and a molecular weight of 419.41 g/mol. Its IUPAC name is 2-[[1-cyclohexyl-3-[(2-fluorophenyl)methyl]-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-cyclohexyl-3-[(2-fluorophenyl)methyl]-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
PubChem CID24829566
Molecular FormulaC20H22FN3O6
Molecular Weight419.41 g/mol
Exact Mass419.15
IUPAC Name2-[[1-cyclohexyl-3-[(2-fluorophenyl)methyl]-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)n(Cc2ccccc2F)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C20H22FN3O6/c21-14-9-5-4-6-12(14)11-23-18(28)16(17(27)22-10-15(25)26)19(29)24(20(23)30)13-7-2-1-3-8-13/h4-6,9,13,28H,1-3,7-8,10-11H2,(H,22,27)(H,25,26)
InChIKeyXFBXINTYOMOQEL-UHFFFAOYSA-N
XLogP1.22
TPSA130.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[1-cyclohexyl-3-[(2-fluorophenyl)methyl]-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[[1-Benzyl-3-[(2-cyanophenyl)methyl]-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl]amino]acetic acid
CID 76321528
6-Amino-5-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 16359046
N-(2-(cyclohex-1-en-1-yl)ethyl)-3-(2-fluorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 71778433
N-({1-Cyclohexyl-6-hydroxy-2,4-dioxo-3-[(2,4,6-trifluorophenyl)methyl]-1,2,3,4-tetrahydro-5-pyrimidinyl}carbonyl)glycine
CID 24829570
2-[[1-Cyclohexyl-3-[2-(4-fluorophenyl)-2-oxoethyl]-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
CID 24830725
N-({1-Cyclohexyl-3-[(2,3-difluorophenyl)methyl]-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl}carbonyl)glycine
CID 24830878
N-({6-Hydroxy-2,4-dioxo-3-(phenylmethyl)-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinyl}carbonyl)glycine
CID 24831193
N-[(6-Hydroxy-2,4-dioxo-3-(phenylmethyl)-1-{[4-(trifluoromethyl)phenyl]methyl}-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonyl]glycine
CID 24831503
Methyl 2-[[4-[(2-fluoro-4-iodophenyl)methyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl]amino]acetate
CID 58374865
2-[[4-[(2-Fluoro-4-iodophenyl)methyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
CID 58374869
N-[(3-{[2,4-Bis(trifluoromethyl)phenyl]methyl}-1-cyclohexyl-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonyl]glycine
CID 59313189
N-[(1-Cyclohexyl-3-{[4-fluoro-2-(trifluoromethyl)phenyl]methyl}-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonyl]glycine
CID 59313197

Frequently Asked Questions

What is the IUPAC name of 2-[[1-cyclohexyl-3-[(2-fluorophenyl)methyl]-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-cyclohexyl-3-[(2-fluorophenyl)methyl]-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid (CID 24829566) is 2-[[1-cyclohexyl-3-[(2-fluorophenyl)methyl]-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-cyclohexyl-3-[(2-fluorophenyl)methyl]-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-cyclohexyl-3-[(2-fluorophenyl)methyl]-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1c(O)n(Cc2ccccc2F)c(=O)n(C2CCCCC2)c1=O.
What is the InChIKey of 2-[[1-cyclohexyl-3-[(2-fluorophenyl)methyl]-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
The InChIKey is XFBXINTYOMOQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O6/c21-14-9-5-4-6-12(14)11-23-18(28)16(17(27)22-10-15(25)26)19(29)24(20(23)30)13-7-2-1-3-8-13/h4-6,9,13,28H,1-3,7-8,10-11H2,(H,22,27)(H,25,26).
What are the key properties of 2-[[1-cyclohexyl-3-[(2-fluorophenyl)methyl]-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
2-[[1-cyclohexyl-3-[(2-fluorophenyl)methyl]-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid has a molecular weight of 419.41 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-cyclohexyl-3-[(2-fluorophenyl)methyl]-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 24829566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).