2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[4-(methylaminomethyl)triazol-1-yl]methyl]oxolan-2-yl]-N-propan-2-ylacetamide

C14H25N5O4 — CID 40777922

IUPAC2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[4-(methylaminomethyl)triazol-1-yl]methyl]oxolan-2-yl]-N-propan-2-ylacetamide
SMILESCNCc1cn(C[C@H]2O[C@@H](CC(=O)NC(C)C)[C@H](O)[C@@H]2O)nn1
InChIInChI=1S/C14H25N5O4/c1-8(2)16-12(20)4-10-13(21)14(22)11(23-10)7-19-6-9(5-15-3)17-18-19/h6,8,10-11,13-15,21-22H,4-5,7H2,1-3H3,(H,16,20)/t10-,11+,13-,14+/m0/s1
InChIKeyASXQLCQHNQGASZ-UZGDPCLZSA-N
MW327.39 g/mol
LogP-1.60
Rot. Bonds7

About 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[4-(methylaminomethyl)triazol-1-yl]methyl]oxolan-2-yl]-N-propan-2-ylacetamide

2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[4-(methylaminomethyl)triazol-1-yl]methyl]oxolan-2-yl]-N-propan-2-ylacetamide (PubChem CID 40777922) has the molecular formula C14H25N5O4 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[4-(methylaminomethyl)triazol-1-yl]methyl]oxolan-2-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[4-(methylaminomethyl)triazol-1-yl]methyl]oxolan-2-yl]-N-propan-2-ylacetamide
PubChem CID40777922
Molecular FormulaC14H25N5O4
Molecular Weight327.39 g/mol
Exact Mass327.19
IUPAC Name2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[4-(methylaminomethyl)triazol-1-yl]methyl]oxolan-2-yl]-N-propan-2-ylacetamide
SMILESCNCc1cn(C[C@H]2O[C@@H](CC(=O)NC(C)C)[C@H](O)[C@@H]2O)nn1
InChIInChI=1S/C14H25N5O4/c1-8(2)16-12(20)4-10-13(21)14(22)11(23-10)7-19-6-9(5-15-3)17-18-19/h6,8,10-11,13-15,21-22H,4-5,7H2,1-3H3,(H,16,20)/t10-,11+,13-,14+/m0/s1
InChIKeyASXQLCQHNQGASZ-UZGDPCLZSA-N
XLogP-1.60
TPSA121.53 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(methylaminomethyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 66214238
2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(pyridin-2-ylmethylamino)methyl]oxolan-2-yl]-N-propan-2-ylacetamide
CID 163054151
2-[(2S,3R,4S,5R)-5-[[4-[[benzyl(methyl)amino]methyl]triazol-1-yl]methyl]-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide
CID 40777960
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-propan-2-ylacetamide
CID 66270629
2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide
CID 66192119
2-[(2S,3R,4S,5R)-5-[[4-[[benzyl(methyl)amino]methyl]triazol-1-yl]methyl]-3,4-dihydroxyoxolan-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 40777939
2-[4-(methylaminomethyl)triazol-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 66194455
2-[4-(methylaminomethyl)triazol-1-yl]-N-propan-2-ylpropanamide
CID 66214641
1-[4-(methylaminomethyl)triazol-1-yl]propan-2-ol
CID 66214034
2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 66213840
2-[4-(methylaminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 66215249
N-benzyl-2-[(2S,3R,4S,5S)-5-[[4-[[benzyl(methyl)amino]methyl]triazol-1-yl]methyl]-3,4-dihydroxyoxolan-2-yl]-N-methylacetamide
CID 162828848

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[4-(methylaminomethyl)triazol-1-yl]methyl]oxolan-2-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[4-(methylaminomethyl)triazol-1-yl]methyl]oxolan-2-yl]-N-propan-2-ylacetamide (CID 40777922) is 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[4-(methylaminomethyl)triazol-1-yl]methyl]oxolan-2-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[4-(methylaminomethyl)triazol-1-yl]methyl]oxolan-2-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[4-(methylaminomethyl)triazol-1-yl]methyl]oxolan-2-yl]-N-propan-2-ylacetamide is CNCc1cn(C[C@H]2O[C@@H](CC(=O)NC(C)C)[C@H](O)[C@@H]2O)nn1.
What is the InChIKey of 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[4-(methylaminomethyl)triazol-1-yl]methyl]oxolan-2-yl]-N-propan-2-ylacetamide?
The InChIKey is ASXQLCQHNQGASZ-UZGDPCLZSA-N. The full InChI is InChI=1S/C14H25N5O4/c1-8(2)16-12(20)4-10-13(21)14(22)11(23-10)7-19-6-9(5-15-3)17-18-19/h6,8,10-11,13-15,21-22H,4-5,7H2,1-3H3,(H,16,20)/t10-,11+,13-,14+/m0/s1.
What are the key properties of 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[4-(methylaminomethyl)triazol-1-yl]methyl]oxolan-2-yl]-N-propan-2-ylacetamide?
2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[4-(methylaminomethyl)triazol-1-yl]methyl]oxolan-2-yl]-N-propan-2-ylacetamide has a molecular weight of 327.39 g/mol, XLogP of -1.60, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[4-(methylaminomethyl)triazol-1-yl]methyl]oxolan-2-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 40777922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).