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

C10H17N5O4 — CID 67877004

IUPACN-[(2R,3R,4S,5R)-5-[amino(methylamino)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide
SMILESCNC(N)[C@H]1O[C@@H](NC(=O)c2cnc[nH]2)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H17N5O4/c1-12-8(11)7-5(16)6(17)10(19-7)15-9(18)4-2-13-3-14-4/h2-3,5-8,10,12,16-17H,11H2,1H3,(H,13,14)(H,15,18)/t5-,6+,7-,8?,10+/m0/s1
InChIKeyULCDQEUIBVQINX-NSGDPLQKSA-N
MW271.28 g/mol
LogP-2.91
Rot. Bonds4

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

N-[(2R,3R,4S,5R)-5-[amino(methylamino)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide (PubChem CID 67877004) has the molecular formula C10H17N5O4 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[(2R,3R,4S,5R)-5-[amino(methylamino)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R,3R,4S,5R)-5-[amino(methylamino)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide
PubChem CID67877004
Molecular FormulaC10H17N5O4
Molecular Weight271.28 g/mol
Exact Mass271.13
IUPAC NameN-[(2R,3R,4S,5R)-5-[amino(methylamino)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide
SMILESCNC(N)[C@H]1O[C@@H](NC(=O)c2cnc[nH]2)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H17N5O4/c1-12-8(11)7-5(16)6(17)10(19-7)15-9(18)4-2-13-3-14-4/h2-3,5-8,10,12,16-17H,11H2,1H3,(H,13,14)(H,15,18)/t5-,6+,7-,8?,10+/m0/s1
InChIKeyULCDQEUIBVQINX-NSGDPLQKSA-N
XLogP-2.91
TPSA145.52 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.28
LogP ≤ 5-2.91
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,5R)-5-[amino(methylamino)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(2R,3R,4S,5R)-5-[amino(methylamino)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide (CID 67877004) is N-[(2R,3R,4S,5R)-5-[amino(methylamino)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(2R,3R,4S,5R)-5-[amino(methylamino)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(2R,3R,4S,5R)-5-[amino(methylamino)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide is CNC(N)[C@H]1O[C@@H](NC(=O)c2cnc[nH]2)[C@H](O)[C@@H]1O.
What is the InChIKey of N-[(2R,3R,4S,5R)-5-[amino(methylamino)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide?
The InChIKey is ULCDQEUIBVQINX-NSGDPLQKSA-N. The full InChI is InChI=1S/C10H17N5O4/c1-12-8(11)7-5(16)6(17)10(19-7)15-9(18)4-2-13-3-14-4/h2-3,5-8,10,12,16-17H,11H2,1H3,(H,13,14)(H,15,18)/t5-,6+,7-,8?,10+/m0/s1.
What are the key properties of N-[(2R,3R,4S,5R)-5-[amino(methylamino)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide?
N-[(2R,3R,4S,5R)-5-[amino(methylamino)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide has a molecular weight of 271.28 g/mol, XLogP of -2.91, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4S,5R)-5-[amino(methylamino)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 67877004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).