1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-5-hydroxyimidazole-4-carboxamide

C10H15N3O5 — CID 159068153

IUPAC1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-5-hydroxyimidazole-4-carboxamide
SMILESCC[C@H]1O[C@@H](n2cnc(C(N)=O)c2O)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H15N3O5/c1-2-4-6(14)7(15)10(18-4)13-3-12-5(8(11)16)9(13)17/h3-4,6-7,10,14-15,17H,2H2,1H3,(H2,11,16)/t4-,6-,7-,10-/m1/s1
InChIKeyQUGKWHRMSUCBFP-KQYNXXCUSA-N
MW257.25 g/mol
LogP-1.28
Rot. Bonds3

About 1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-5-hydroxyimidazole-4-carboxamide

1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-5-hydroxyimidazole-4-carboxamide (PubChem CID 159068153) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is 1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-5-hydroxyimidazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-5-hydroxyimidazole-4-carboxamide
PubChem CID159068153
Molecular FormulaC10H15N3O5
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-5-hydroxyimidazole-4-carboxamide
SMILESCC[C@H]1O[C@@H](n2cnc(C(N)=O)c2O)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H15N3O5/c1-2-4-6(14)7(15)10(18-4)13-3-12-5(8(11)16)9(13)17/h3-4,6-7,10,14-15,17H,2H2,1H3,(H2,11,16)/t4-,6-,7-,10-/m1/s1
InChIKeyQUGKWHRMSUCBFP-KQYNXXCUSA-N
XLogP-1.28
TPSA130.83 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R,4R,5R)-5-(4-carbamoyl-5-hydroxyimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-aminopropanoate
CID 153301322
5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl](4,5-13C2,315N)imidazole-4-carboxamide
CID 139026028
[(2R,3S,4R,5R)-5-(4-carbamoyl-5-hydroxyimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S,3R)-2-amino-3-phenylmethoxybutanoate
CID 159814452
(Z)-[(2S)-2-amino-2-carboxyethyl]-hydroxyimino-oxidoazanium;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxyimidazole-4-carboxamide
CID 135528861
bis(1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4,5-dicarboxamide);hydrate
CID 21140713
1-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-ethynylimidazole-4-carboxamide
CID 11694639
1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-ethynylimidazole-4-carboxamide
CID 87527740
1-[(3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-ethynylimidazole-4-carboxamide
CID 88932461
1-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-ethynylimidazole-4-carboxamide
CID 163978950
1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-hydroxypent-1-ynyl)imidazole-4-carboxamide
CID 67922444
(2R,3R,4S,5R)-2-[4-(1-aminoethenyl)-5-hydroxyimidazol-1-yl]-5-(2-diethoxyphosphoryl-2,2-difluoroethyl)oxolane-3,4-diol
CID 163458882
5-(3,4-dihydroxybut-1-ynyl)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
CID 57276390

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-5-hydroxyimidazole-4-carboxamide?
The IUPAC name of 1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-5-hydroxyimidazole-4-carboxamide (CID 159068153) is 1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-5-hydroxyimidazole-4-carboxamide.
What is the SMILES notation for 1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-5-hydroxyimidazole-4-carboxamide?
The canonical SMILES for 1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-5-hydroxyimidazole-4-carboxamide is CC[C@H]1O[C@@H](n2cnc(C(N)=O)c2O)[C@H](O)[C@@H]1O.
What is the InChIKey of 1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-5-hydroxyimidazole-4-carboxamide?
The InChIKey is QUGKWHRMSUCBFP-KQYNXXCUSA-N. The full InChI is InChI=1S/C10H15N3O5/c1-2-4-6(14)7(15)10(18-4)13-3-12-5(8(11)16)9(13)17/h3-4,6-7,10,14-15,17H,2H2,1H3,(H2,11,16)/t4-,6-,7-,10-/m1/s1.
What are the key properties of 1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-5-hydroxyimidazole-4-carboxamide?
1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-5-hydroxyimidazole-4-carboxamide has a molecular weight of 257.25 g/mol, XLogP of -1.28, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-5-hydroxyimidazole-4-carboxamide is sourced from PubChem (CID 159068153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).