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

C9H14N4O5 — CID 67677266

IUPACN-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-2-carboxamide
SMILESNC(O)[C@H]1O[C@@H](NC(=O)c2ncc[nH]2)[C@H](O)[C@@H]1O
InChIInChI=1S/C9H14N4O5/c10-6(16)5-3(14)4(15)9(18-5)13-8(17)7-11-1-2-12-7/h1-6,9,14-16H,10H2,(H,11,12)(H,13,17)/t3-,4+,5-,6?,9+/m0/s1
InChIKeyNQXYTKQLFNCLRP-NBMYMWOTSA-N
MW258.23 g/mol
LogP-3.14
Rot. Bonds3

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

N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-2-carboxamide (PubChem CID 67677266) has the molecular formula C9H14N4O5 and a molecular weight of 258.23 g/mol. Its IUPAC name is N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-2-carboxamide
PubChem CID67677266
Molecular FormulaC9H14N4O5
Molecular Weight258.23 g/mol
Exact Mass258.10
IUPAC NameN-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-2-carboxamide
SMILESNC(O)[C@H]1O[C@@H](NC(=O)c2ncc[nH]2)[C@H](O)[C@@H]1O
InChIInChI=1S/C9H14N4O5/c10-6(16)5-3(14)4(15)9(18-5)13-8(17)7-11-1-2-12-7/h1-6,9,14-16H,10H2,(H,11,12)(H,13,17)/t3-,4+,5-,6?,9+/m0/s1
InChIKeyNQXYTKQLFNCLRP-NBMYMWOTSA-N
XLogP-3.14
TPSA153.72 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.23
LogP ≤ 5-3.14
H-Bond Donors ≤ 56
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]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-2-carboxamide?
The IUPAC name of N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-2-carboxamide (CID 67677266) is N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-2-carboxamide is NC(O)[C@H]1O[C@@H](NC(=O)c2ncc[nH]2)[C@H](O)[C@@H]1O.
What is the InChIKey of N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-2-carboxamide?
The InChIKey is NQXYTKQLFNCLRP-NBMYMWOTSA-N. The full InChI is InChI=1S/C9H14N4O5/c10-6(16)5-3(14)4(15)9(18-5)13-8(17)7-11-1-2-12-7/h1-6,9,14-16H,10H2,(H,11,12)(H,13,17)/t3-,4+,5-,6?,9+/m0/s1.
What are the key properties of N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-2-carboxamide?
N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-2-carboxamide has a molecular weight of 258.23 g/mol, XLogP of -3.14, 3 rotatable bonds, 6 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]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 67677266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).