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

C9H14N4O5 — CID 67677021

IUPACN-[(2S,3S,4S)-2-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-2-carboxamide
SMILESNC(O)[C@@]1(NC(=O)c2ncc[nH]2)OC[C@H](O)[C@@H]1O
InChIInChI=1S/C9H14N4O5/c10-8(17)9(5(15)4(14)3-18-9)13-7(16)6-11-1-2-12-6/h1-2,4-5,8,14-15,17H,3,10H2,(H,11,12)(H,13,16)/t4-,5-,8?,9-/m0/s1
InChIKeyYCWPNPNBRHVGOS-BWMQABIZSA-N
MW258.23 g/mol
LogP-3.14
Rot. Bonds3

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

N-[(2S,3S,4S)-2-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-2-carboxamide (PubChem CID 67677021) has the molecular formula C9H14N4O5 and a molecular weight of 258.23 g/mol. Its IUPAC name is N-[(2S,3S,4S)-2-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S,4S)-2-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-2-carboxamide
PubChem CID67677021
Molecular FormulaC9H14N4O5
Molecular Weight258.23 g/mol
Exact Mass258.10
IUPAC NameN-[(2S,3S,4S)-2-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-2-carboxamide
SMILESNC(O)[C@@]1(NC(=O)c2ncc[nH]2)OC[C@H](O)[C@@H]1O
InChIInChI=1S/C9H14N4O5/c10-8(17)9(5(15)4(14)3-18-9)13-7(16)6-11-1-2-12-6/h1-2,4-5,8,14-15,17H,3,10H2,(H,11,12)(H,13,16)/t4-,5-,8?,9-/m0/s1
InChIKeyYCWPNPNBRHVGOS-BWMQABIZSA-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-[(2S,3S,4S)-2-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-2-carboxamide?
The IUPAC name of N-[(2S,3S,4S)-2-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-2-carboxamide (CID 67677021) is N-[(2S,3S,4S)-2-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[(2S,3S,4S)-2-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[(2S,3S,4S)-2-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-2-carboxamide is NC(O)[C@@]1(NC(=O)c2ncc[nH]2)OC[C@H](O)[C@@H]1O.
What is the InChIKey of N-[(2S,3S,4S)-2-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-2-carboxamide?
The InChIKey is YCWPNPNBRHVGOS-BWMQABIZSA-N. The full InChI is InChI=1S/C9H14N4O5/c10-8(17)9(5(15)4(14)3-18-9)13-7(16)6-11-1-2-12-6/h1-2,4-5,8,14-15,17H,3,10H2,(H,11,12)(H,13,16)/t4-,5-,8?,9-/m0/s1.
What are the key properties of N-[(2S,3S,4S)-2-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-2-carboxamide?
N-[(2S,3S,4S)-2-[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-[(2S,3S,4S)-2-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 67677021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).