N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-4-ethoxy-3-hydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide

C11H18N4O5 — CID 68797422

IUPACN-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-4-ethoxy-3-hydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide
SMILESCCO[C@H]1[C@@H](O)[C@H](NC(=O)c2cnc[nH]2)O[C@@H]1C(N)O
InChIInChI=1S/C11H18N4O5/c1-2-19-7-6(16)11(20-8(7)9(12)17)15-10(18)5-3-13-4-14-5/h3-4,6-9,11,16-17H,2,12H2,1H3,(H,13,14)(H,15,18)/t6-,7+,8+,9?,11-/m1/s1
InChIKeyRNTCOEYBZARMLE-PXTUTPLZSA-N
MW286.29 g/mol
LogP-2.09
Rot. Bonds5

About N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-4-ethoxy-3-hydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide

N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-4-ethoxy-3-hydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide (PubChem CID 68797422) has the molecular formula C11H18N4O5 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-4-ethoxy-3-hydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-4-ethoxy-3-hydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide
PubChem CID68797422
Molecular FormulaC11H18N4O5
Molecular Weight286.29 g/mol
Exact Mass286.13
IUPAC NameN-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-4-ethoxy-3-hydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide
SMILESCCO[C@H]1[C@@H](O)[C@H](NC(=O)c2cnc[nH]2)O[C@@H]1C(N)O
InChIInChI=1S/C11H18N4O5/c1-2-19-7-6(16)11(20-8(7)9(12)17)15-10(18)5-3-13-4-14-5/h3-4,6-9,11,16-17H,2,12H2,1H3,(H,13,14)(H,15,18)/t6-,7+,8+,9?,11-/m1/s1
InChIKeyRNTCOEYBZARMLE-PXTUTPLZSA-N
XLogP-2.09
TPSA142.72 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 5-2.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-4-ethoxy-3-hydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-4-ethoxy-3-hydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide (CID 68797422) is N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-4-ethoxy-3-hydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-4-ethoxy-3-hydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-4-ethoxy-3-hydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide is CCO[C@H]1[C@@H](O)[C@H](NC(=O)c2cnc[nH]2)O[C@@H]1C(N)O.
What is the InChIKey of N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-4-ethoxy-3-hydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide?
The InChIKey is RNTCOEYBZARMLE-PXTUTPLZSA-N. The full InChI is InChI=1S/C11H18N4O5/c1-2-19-7-6(16)11(20-8(7)9(12)17)15-10(18)5-3-13-4-14-5/h3-4,6-9,11,16-17H,2,12H2,1H3,(H,13,14)(H,15,18)/t6-,7+,8+,9?,11-/m1/s1.
What are the key properties of N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-4-ethoxy-3-hydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide?
N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-4-ethoxy-3-hydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide has a molecular weight of 286.29 g/mol, XLogP of -2.09, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-4-ethoxy-3-hydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 68797422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).