1-[(2S,3S)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide

C9H13N3O4 — CID 69495053

IUPAC1-[(2S,3S)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
SMILESNC(=O)c1cn([C@@]2(CO)OCC[C@@H]2O)cn1
InChIInChI=1S/C9H13N3O4/c10-8(15)6-3-12(5-11-6)9(4-13)7(14)1-2-16-9/h3,5,7,13-14H,1-2,4H2,(H2,10,15)/t7-,9-/m0/s1
InChIKeyAOFJMOHMZJCNSZ-CBAPKCEASA-N
MW227.22 g/mol
LogP-1.59
Rot. Bonds3

About 1-[(2S,3S)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide

1-[(2S,3S)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide (PubChem CID 69495053) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 1-[(2S,3S)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2S,3S)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
PubChem CID69495053
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name1-[(2S,3S)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
SMILESNC(=O)c1cn([C@@]2(CO)OCC[C@@H]2O)cn1
InChIInChI=1S/C9H13N3O4/c10-8(15)6-3-12(5-11-6)9(4-13)7(14)1-2-16-9/h3,5,7,13-14H,1-2,4H2,(H2,10,15)/t7-,9-/m0/s1
InChIKeyAOFJMOHMZJCNSZ-CBAPKCEASA-N
XLogP-1.59
TPSA110.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
CID 67312306
1-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide
CID 141069706
1-(1-methylcyclopropyl)imidazole-4-carboxylic acid
CID 130481843
1-(trifluoromethyl)imidazole-4-carboxamide
CID 153453458
1-(3-methyloxan-3-yl)imidazole-4-carboxylic acid
CID 130481881
4-amino-1-[(2S,3S,4R)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 123436693
1-(oxan-4-ylmethyl)pyrazole-3-carboxamide
CID 118365559
1-[(2R,3R,4S,5R)-5-[(benzylamino)methyl]-3,4-dihydroxyoxolan-2-yl]imidazole-4-carboxamide
CID 18662789
5-(4-formylpiperidin-1-yl)pyridine-2-carboxamide
CID 171070571
1-(cyclohexylmethyl)pyrazole-3-carboxamide
CID 173124048
1-[(3S,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]-1,2,4-triazole-3-carboxamide
CID 102512323
1-(1-oxaspiro[5.5]undecan-4-yl)triazole-4-carboxylic acid
CID 79919425

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide?
The IUPAC name of 1-[(2S,3S)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide (CID 69495053) is 1-[(2S,3S)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[(2S,3S)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide?
The canonical SMILES for 1-[(2S,3S)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide is NC(=O)c1cn([C@@]2(CO)OCC[C@@H]2O)cn1.
What is the InChIKey of 1-[(2S,3S)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide?
The InChIKey is AOFJMOHMZJCNSZ-CBAPKCEASA-N. The full InChI is InChI=1S/C9H13N3O4/c10-8(15)6-3-12(5-11-6)9(4-13)7(14)1-2-16-9/h3,5,7,13-14H,1-2,4H2,(H2,10,15)/t7-,9-/m0/s1.
What are the key properties of 1-[(2S,3S)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide?
1-[(2S,3S)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide has a molecular weight of 227.22 g/mol, XLogP of -1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide is sourced from PubChem (CID 69495053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).