N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide

C12H20N4O4 — CID 75536585

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1OC[C@@H](NCc2ncc[nH]2)[C@@H]1O
InChIInChI=1S/C12H20N4O4/c1-19-7-11(17)16-4-9-12(18)8(6-20-9)15-5-10-13-2-3-14-10/h2-3,8-9,12,15,18H,4-7H2,1H3,(H,13,14)(H,16,17)/t8-,9-,12+/m1/s1
InChIKeyKVHLBSVMQFAYLA-LNLATYFQSA-N
MW284.32 g/mol
LogP-1.61
Rot. Bonds7

About N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide

N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide (PubChem CID 75536585) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide
PubChem CID75536585
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1OC[C@@H](NCc2ncc[nH]2)[C@@H]1O
InChIInChI=1S/C12H20N4O4/c1-19-7-11(17)16-4-9-12(18)8(6-20-9)15-5-10-13-2-3-14-10/h2-3,8-9,12,15,18H,4-7H2,1H3,(H,13,14)(H,16,17)/t8-,9-,12+/m1/s1
InChIKeyKVHLBSVMQFAYLA-LNLATYFQSA-N
XLogP-1.61
TPSA108.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 5-1.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide (CID 75536585) is N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide is COCC(=O)NC[C@H]1OC[C@@H](NCc2ncc[nH]2)[C@@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide?
The InChIKey is KVHLBSVMQFAYLA-LNLATYFQSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-19-7-11(17)16-4-9-12(18)8(6-20-9)15-5-10-13-2-3-14-10/h2-3,8-9,12,15,18H,4-7H2,1H3,(H,13,14)(H,16,17)/t8-,9-,12+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide?
N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide has a molecular weight of 284.32 g/mol, XLogP of -1.61, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 75536585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).