N-[[(2R,3S,5R)-3-acetamido-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]acetamide

C13H18N4O5 — CID 10638678

IUPACN-[[(2R,3S,5R)-3-acetamido-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1NC(C)=O
InChIInChI=1S/C13H18N4O5/c1-7(18)14-6-10-9(15-8(2)19)5-12(22-10)17-4-3-11(20)16-13(17)21/h3-4,9-10,12H,5-6H2,1-2H3,(H,14,18)(H,15,19)(H,16,20,21)/t9-,10+,12+/m0/s1
InChIKeyKADZXGLZVRCFCN-HOSYDEDBSA-N
MW310.31 g/mol
LogP-1.54
Rot. Bonds4

About N-[[(2R,3S,5R)-3-acetamido-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]acetamide

N-[[(2R,3S,5R)-3-acetamido-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]acetamide (PubChem CID 10638678) has the molecular formula C13H18N4O5 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-[[(2R,3S,5R)-3-acetamido-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2R,3S,5R)-3-acetamido-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]acetamide
PubChem CID10638678
Molecular FormulaC13H18N4O5
Molecular Weight310.31 g/mol
Exact Mass310.13
IUPAC NameN-[[(2R,3S,5R)-3-acetamido-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1NC(C)=O
InChIInChI=1S/C13H18N4O5/c1-7(18)14-6-10-9(15-8(2)19)5-12(22-10)17-4-3-11(20)16-13(17)21/h3-4,9-10,12H,5-6H2,1-2H3,(H,14,18)(H,15,19)(H,16,20,21)/t9-,10+,12+/m0/s1
InChIKeyKADZXGLZVRCFCN-HOSYDEDBSA-N
XLogP-1.54
TPSA122.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[(2R,3S,5R)-3-acetamido-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]acetamide
CID 15956670
1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 14562102
1-[(2R,5R)-4,5-diethyloxolan-2-yl]pyrimidine-2,4-dione
CID 58159388
(E)-2-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylamino]but-2-enal
CID 121487473
N-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide
CID 10735166
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)(4,5-13C2)oxolan-2-yl]pyrimidine-2,4-dione
CID 11183813
1-[(2R,4R,5R)-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70953347
N-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]formamide
CID 14842983
[5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]methyl acetate
CID 123607288
1-[(2R,5R)-4-chloro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 67928982
1-[(2R,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 21120134
1-[(2R,4S)-4-(hydroxymethyl)oxetan-2-yl]pyrimidine-2,4-dione
CID 57243350

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,5R)-3-acetamido-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2R,3S,5R)-3-acetamido-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]acetamide (CID 10638678) is N-[[(2R,3S,5R)-3-acetamido-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2R,3S,5R)-3-acetamido-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2R,3S,5R)-3-acetamido-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]acetamide is CC(=O)NC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1NC(C)=O.
What is the InChIKey of N-[[(2R,3S,5R)-3-acetamido-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]acetamide?
The InChIKey is KADZXGLZVRCFCN-HOSYDEDBSA-N. The full InChI is InChI=1S/C13H18N4O5/c1-7(18)14-6-10-9(15-8(2)19)5-12(22-10)17-4-3-11(20)16-13(17)21/h3-4,9-10,12H,5-6H2,1-2H3,(H,14,18)(H,15,19)(H,16,20,21)/t9-,10+,12+/m0/s1.
What are the key properties of N-[[(2R,3S,5R)-3-acetamido-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]acetamide?
N-[[(2R,3S,5R)-3-acetamido-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]acetamide has a molecular weight of 310.31 g/mol, XLogP of -1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,5R)-3-acetamido-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 10638678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).