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

C13H22N4O5 — CID 68799077

IUPACN-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-4-butoxy-3-hydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide
SMILESCCCCO[C@H]1[C@@H](O)[C@H](NC(=O)c2cnc[nH]2)O[C@@H]1C(N)O
InChIInChI=1S/C13H22N4O5/c1-2-3-4-21-9-8(18)13(22-10(9)11(14)19)17-12(20)7-5-15-6-16-7/h5-6,8-11,13,18-19H,2-4,14H2,1H3,(H,15,16)(H,17,20)/t8-,9+,10+,11?,13-/m1/s1
InChIKeyPBOAGUYFYPASKC-LFEBVRLFSA-N
MW314.34 g/mol
LogP-1.31
Rot. Bonds7

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

N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-4-butoxy-3-hydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide (PubChem CID 68799077) has the molecular formula C13H22N4O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-4-butoxy-3-hydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-4-butoxy-3-hydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide
PubChem CID68799077
Molecular FormulaC13H22N4O5
Molecular Weight314.34 g/mol
Exact Mass314.16
IUPAC NameN-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-4-butoxy-3-hydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide
SMILESCCCCO[C@H]1[C@@H](O)[C@H](NC(=O)c2cnc[nH]2)O[C@@H]1C(N)O
InChIInChI=1S/C13H22N4O5/c1-2-3-4-21-9-8(18)13(22-10(9)11(14)19)17-12(20)7-5-15-6-16-7/h5-6,8-11,13,18-19H,2-4,14H2,1H3,(H,15,16)(H,17,20)/t8-,9+,10+,11?,13-/m1/s1
InChIKeyPBOAGUYFYPASKC-LFEBVRLFSA-N
XLogP-1.31
TPSA142.72 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 5-1.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Related Compounds

1-beta-d-Ribofuranosyl-1H-imidazole-4-carboxamide
CID 3007126
2-Beta-D-ribofuranosylimidazole-4-carboxamide
CID 10105820
9-[4-hydroxy-5-(hydroxymethyl)-3-methoxy-tetrahydrofuran-2-yl]-3H-purin-6-one
CID 137148779
2'-O-methylinosine
CID 135412763
2-amino-7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,9-dihydropurin-7-ium-6-one
CID 135976398
Arabinofuranosylguanine
CID 136125470
3-Isoinosine
CID 193428
1-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-3-propan-2-ylurea
CID 75536736
N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide
CID 86769414
1-(2-Deoxy-beta-d-ribofuranosyl)-imidazole-4-carboxamide
CID 15276901
Ribofuranosylimidazole-4-carboxamide
CID 46876283
1-beta-D-arabinofuranosyl guanine
CID 53718478

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-4-butoxy-3-hydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-4-butoxy-3-hydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide (CID 68799077) is N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-4-butoxy-3-hydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-4-butoxy-3-hydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-4-butoxy-3-hydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide is CCCCO[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-butoxy-3-hydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide?
The InChIKey is PBOAGUYFYPASKC-LFEBVRLFSA-N. The full InChI is InChI=1S/C13H22N4O5/c1-2-3-4-21-9-8(18)13(22-10(9)11(14)19)17-12(20)7-5-15-6-16-7/h5-6,8-11,13,18-19H,2-4,14H2,1H3,(H,15,16)(H,17,20)/t8-,9+,10+,11?,13-/m1/s1.
What are the key properties of N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-4-butoxy-3-hydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide?
N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-4-butoxy-3-hydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide has a molecular weight of 314.34 g/mol, XLogP of -1.31, 7 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-butoxy-3-hydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 68799077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).