[(2R)-2-(4-acetamido-2-oxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate

C19H23N3O6 — CID 70904334

IUPAC[(2R)-2-(4-acetamido-2-oxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate
SMILESCC[C@H](CO)O[C@H](COC(=O)c1ccccc1)n1ccc(NC(C)=O)nc1=O
InChIInChI=1S/C19H23N3O6/c1-3-15(11-23)28-17(12-27-18(25)14-7-5-4-6-8-14)22-10-9-16(20-13(2)24)21-19(22)26/h4-10,15,17,23H,3,11-12H2,1-2H3,(H,20,21,24,26)/t15-,17-/m1/s1
InChIKeyRLDAMSDPVQZAAC-NVXWUHKLSA-N
MW389.41 g/mol
LogP1.34
Rot. Bonds9

About [(2R)-2-(4-acetamido-2-oxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate

[(2R)-2-(4-acetamido-2-oxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate (PubChem CID 70904334) has the molecular formula C19H23N3O6 and a molecular weight of 389.41 g/mol. Its IUPAC name is [(2R)-2-(4-acetamido-2-oxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate.

Molecular Properties

Compound Name[(2R)-2-(4-acetamido-2-oxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate
PubChem CID70904334
Molecular FormulaC19H23N3O6
Molecular Weight389.41 g/mol
Exact Mass389.16
IUPAC Name[(2R)-2-(4-acetamido-2-oxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate
SMILESCC[C@H](CO)O[C@H](COC(=O)c1ccccc1)n1ccc(NC(C)=O)nc1=O
InChIInChI=1S/C19H23N3O6/c1-3-15(11-23)28-17(12-27-18(25)14-7-5-4-6-8-14)22-10-9-16(20-13(2)24)21-19(22)26/h4-10,15,17,23H,3,11-12H2,1-2H3,(H,20,21,24,26)/t15-,17-/m1/s1
InChIKeyRLDAMSDPVQZAAC-NVXWUHKLSA-N
XLogP1.34
TPSA119.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [(2R)-2-(4-acetamido-2-oxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate with MolForge

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Related Compounds

[2-(2,4-dioxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate
CID 160757175
[2-(1,3-dihydroxypropan-2-yloxy)-2-(2,4-dioxopyrimidin-1-yl)ethyl] benzoate
CID 166684380
[(2R)-2-(6-benzamidopurin-9-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate
CID 70904333
[(2R)-2-[(2S)-2-(4-benzamido-2-oxopyrimidin-1-yl)propoxy]propyl] benzoate
CID 118012119
6-[[4-[[1-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)propyl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]disulfanyl]hexanoic acid
CID 121404440
[(2R)-2-[(1S)-1-(2,4-dioxopyrimidin-1-yl)-2-hydroxyethoxy]-3-hydroxypropyl] benzoate
CID 7044802
N-[1-(1-hydroxy-2-methylpropyl)-2-oxopyrimidin-4-yl]acetamide
CID 123374621
[(2R)-2-[6-(dimethylaminomethylideneamino)-2-(diphenylcarbamoyloxy)purin-9-yl]-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate
CID 159197487
[4-(benzoyloxymethyl)-2,3-diethylhexyl] benzoate
CID 141064314
[(2S)-2-(ethylamino)propyl] benzoate
CID 90069288
N-[1-[(2R)-2-(diethoxyphosphorylmethoxy)-3-hydroxypropyl]-2-oxopyrimidin-4-yl]benzamide
CID 86333380
[(2R,3S,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-4-azido-3-benzoyloxythiolan-2-yl]methyl benzoate
CID 10816149

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-acetamido-2-oxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate?
The IUPAC name of [(2R)-2-(4-acetamido-2-oxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate (CID 70904334) is [(2R)-2-(4-acetamido-2-oxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate.
What is the SMILES notation for [(2R)-2-(4-acetamido-2-oxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate?
The canonical SMILES for [(2R)-2-(4-acetamido-2-oxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate is CC[C@H](CO)O[C@H](COC(=O)c1ccccc1)n1ccc(NC(C)=O)nc1=O.
What is the InChIKey of [(2R)-2-(4-acetamido-2-oxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate?
The InChIKey is RLDAMSDPVQZAAC-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H23N3O6/c1-3-15(11-23)28-17(12-27-18(25)14-7-5-4-6-8-14)22-10-9-16(20-13(2)24)21-19(22)26/h4-10,15,17,23H,3,11-12H2,1-2H3,(H,20,21,24,26)/t15-,17-/m1/s1.
What are the key properties of [(2R)-2-(4-acetamido-2-oxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate?
[(2R)-2-(4-acetamido-2-oxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate has a molecular weight of 389.41 g/mol, XLogP of 1.34, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-acetamido-2-oxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate is sourced from PubChem (CID 70904334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).