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

C16H18N4O4 — CID 10735166

IUPACN-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide
SMILESN[C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CNC(=O)c1ccccc1
InChIInChI=1S/C16H18N4O4/c17-11-8-14(20-7-6-13(21)19-16(20)23)24-12(11)9-18-15(22)10-4-2-1-3-5-10/h1-7,11-12,14H,8-9,17H2,(H,18,22)(H,19,21,23)/t11-,12+,14+/m0/s1
InChIKeyKLXFFVDSACVOGH-OUCADQQQSA-N
MW330.34 g/mol
LogP-0.42
Rot. Bonds4

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

N-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide (PubChem CID 10735166) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide
PubChem CID10735166
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC NameN-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide
SMILESN[C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CNC(=O)c1ccccc1
InChIInChI=1S/C16H18N4O4/c17-11-8-14(20-7-6-13(21)19-16(20)23)24-12(11)9-18-15(22)10-4-2-1-3-5-10/h1-7,11-12,14H,8-9,17H2,(H,18,22)(H,19,21,23)/t11-,12+,14+/m0/s1
InChIKeyKLXFFVDSACVOGH-OUCADQQQSA-N
XLogP-0.42
TPSA119.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

(E)-2-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylamino]but-2-enal
CID 121487473
N-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide
CID 163464564
1-[(2R,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 21120134
N-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]formamide
CID 10844255
[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methyl benzoate
CID 96884537
[5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl benzoate
CID 14260321
1-[(2R,4S,5S,6R)-4-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione
CID 57113962
N-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]acetamide
CID 15956670
[(2R,3R,5R)-3-benzoyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
CID 14412037
[(2S,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylbenzoate
CID 73013121
N-[[(2S,5S)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 57058563
1-[(2R,4S,5R)-5-[(benzylamino)methyl]-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 11709476

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide?
The IUPAC name of N-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide (CID 10735166) is N-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide?
The canonical SMILES for N-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide is N[C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CNC(=O)c1ccccc1.
What is the InChIKey of N-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide?
The InChIKey is KLXFFVDSACVOGH-OUCADQQQSA-N. The full InChI is InChI=1S/C16H18N4O4/c17-11-8-14(20-7-6-13(21)19-16(20)23)24-12(11)9-18-15(22)10-4-2-1-3-5-10/h1-7,11-12,14H,8-9,17H2,(H,18,22)(H,19,21,23)/t11-,12+,14+/m0/s1.
What are the key properties of N-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide?
N-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide has a molecular weight of 330.34 g/mol, XLogP of -0.42, 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-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 10735166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).