2-amino-3-methyl-4H-imidazol-5-one;(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one

C10H15N3O7 — CID 54688804

IUPAC2-amino-3-methyl-4H-imidazol-5-one;(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
SMILESCN1CC(=O)N=C1N.O=C1O[C@H]([C@H](O)CO)C(O)=C1O
InChIInChI=1S/C6H8O6.C4H7N3O/c7-1-2(8)5-3(9)4(10)6(11)12-5;1-7-2-3(8)6-4(7)5/h2,5,7-10H,1H2;2H2,1H3,(H2,5,6,8)/t2-,5-;/m1./s1
InChIKeyPVVOMONYTDUWQJ-RKJRWTFHSA-N
MW289.24 g/mol
LogP-2.63
Rot. Bonds2

About 2-amino-3-methyl-4H-imidazol-5-one;(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one

2-amino-3-methyl-4H-imidazol-5-one;(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one (PubChem CID 54688804) has the molecular formula C10H15N3O7 and a molecular weight of 289.24 g/mol. Its IUPAC name is 2-amino-3-methyl-4H-imidazol-5-one;(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one.

Molecular Properties

Compound Name2-amino-3-methyl-4H-imidazol-5-one;(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
PubChem CID54688804
Molecular FormulaC10H15N3O7
Molecular Weight289.24 g/mol
Exact Mass289.09
IUPAC Name2-amino-3-methyl-4H-imidazol-5-one;(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
SMILESCN1CC(=O)N=C1N.O=C1O[C@H]([C@H](O)CO)C(O)=C1O
InChIInChI=1S/C6H8O6.C4H7N3O/c7-1-2(8)5-3(9)4(10)6(11)12-5;1-7-2-3(8)6-4(7)5/h2,5,7-10H,1H2;2H2,1H3,(H2,5,6,8)/t2-,5-;/m1./s1
InChIKeyPVVOMONYTDUWQJ-RKJRWTFHSA-N
XLogP-2.63
TPSA165.91 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 5-2.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 2-amino-3-methyl-4H-imidazol-5-one;(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-4H-imidazol-5-one;(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
The IUPAC name of 2-amino-3-methyl-4H-imidazol-5-one;(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one (CID 54688804) is 2-amino-3-methyl-4H-imidazol-5-one;(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one.
What is the SMILES notation for 2-amino-3-methyl-4H-imidazol-5-one;(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
The canonical SMILES for 2-amino-3-methyl-4H-imidazol-5-one;(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one is CN1CC(=O)N=C1N.O=C1O[C@H]([C@H](O)CO)C(O)=C1O.
What is the InChIKey of 2-amino-3-methyl-4H-imidazol-5-one;(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
The InChIKey is PVVOMONYTDUWQJ-RKJRWTFHSA-N. The full InChI is InChI=1S/C6H8O6.C4H7N3O/c7-1-2(8)5-3(9)4(10)6(11)12-5;1-7-2-3(8)6-4(7)5/h2,5,7-10H,1H2;2H2,1H3,(H2,5,6,8)/t2-,5-;/m1./s1.
What are the key properties of 2-amino-3-methyl-4H-imidazol-5-one;(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
2-amino-3-methyl-4H-imidazol-5-one;(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one has a molecular weight of 289.24 g/mol, XLogP of -2.63, 2 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-4H-imidazol-5-one;(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one is sourced from PubChem (CID 54688804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).