N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide

C12H20N4O4 — CID 86769414

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1OC[C@@H](NCc2cnc[nH]2)[C@@H]1O
InChIInChI=1S/C12H20N4O4/c1-19-6-11(17)15-4-10-12(18)9(5-20-10)14-3-8-2-13-7-16-8/h2,7,9-10,12,14,18H,3-6H2,1H3,(H,13,16)(H,15,17)/t9-,10-,12+/m1/s1
InChIKeyAUIDDRQRFUTWOH-FOGDFJRCSA-N
MW284.32 g/mol
LogP-1.61
Rot. Bonds7

About N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide

N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide (PubChem CID 86769414) 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-5-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide
PubChem CID86769414
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1OC[C@@H](NCc2cnc[nH]2)[C@@H]1O
InChIInChI=1S/C12H20N4O4/c1-19-6-11(17)15-4-10-12(18)9(5-20-10)14-3-8-2-13-7-16-8/h2,7,9-10,12,14,18H,3-6H2,1H3,(H,13,16)(H,15,17)/t9-,10-,12+/m1/s1
InChIKeyAUIDDRQRFUTWOH-FOGDFJRCSA-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

Analyze N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide
CID 75536566
1-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-3-propan-2-ylurea
CID 75536736
1-[12,13-dihydroxy-6-(1H-imidazol-5-ylmethyl)-11-(3-methylbutoxy)-1-oxa-6,9-diazacyclotetradec-9-yl]ethanone
CID 172640797
Ethanone, 1-[(11R,12R,13R)-12,13-dihydroxy-6-(1H-imidazol-5-ylmethyl)-11-(3-methylbutoxy)-1-oxa-6,9-diazacyclotetradec-9-yl]-, rel-
CID 177842983
N-[(3R,4S,5S)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide
CID 53987068
N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(dimethylaminomethylideneamino)-1H-imidazole-5-carboxamide
CID 53999099
N-[(3S,4R,5R)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide
CID 57104988
N-[(2R,3R,4S,5R)-5-[amino(methylamino)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide
CID 67877004
N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-4-ethoxy-3-hydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide
CID 68797422
N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-3-ethoxy-4-hydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide
CID 68798430
N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-4-butoxy-3-hydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide
CID 68799077
(2R,3S)-5-tert-butyl-2-[(1H-imidazol-5-ylmethylamino)methyl]oxolan-3-ol
CID 70646074

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide (CID 86769414) is N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide is COCC(=O)NC[C@H]1OC[C@@H](NCc2cnc[nH]2)[C@@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide?
The InChIKey is AUIDDRQRFUTWOH-FOGDFJRCSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-19-6-11(17)15-4-10-12(18)9(5-20-10)14-3-8-2-13-7-16-8/h2,7,9-10,12,14,18H,3-6H2,1H3,(H,13,16)(H,15,17)/t9-,10-,12+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide?
N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-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-5-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 86769414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).