N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]acetamide

C12H20N4O3 — CID 75536510

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1OC[C@@H](NCc2nccn2C)[C@@H]1O
InChIInChI=1S/C12H20N4O3/c1-8(17)14-5-10-12(18)9(7-19-10)15-6-11-13-3-4-16(11)2/h3-4,9-10,12,15,18H,5-7H2,1-2H3,(H,14,17)/t9-,10-,12+/m1/s1
InChIKeySHUSHWBJEJWQNX-FOGDFJRCSA-N
MW268.32 g/mol
LogP-1.23
Rot. Bonds5

About N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]acetamide

N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]acetamide (PubChem CID 75536510) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]acetamide
PubChem CID75536510
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1OC[C@@H](NCc2nccn2C)[C@@H]1O
InChIInChI=1S/C12H20N4O3/c1-8(17)14-5-10-12(18)9(7-19-10)15-6-11-13-3-4-16(11)2/h3-4,9-10,12,15,18H,5-7H2,1-2H3,(H,14,17)/t9-,10-,12+/m1/s1
InChIKeySHUSHWBJEJWQNX-FOGDFJRCSA-N
XLogP-1.23
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]acetamide (CID 75536510) is N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]acetamide is CC(=O)NC[C@H]1OC[C@@H](NCc2nccn2C)[C@@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]acetamide?
The InChIKey is SHUSHWBJEJWQNX-FOGDFJRCSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-8(17)14-5-10-12(18)9(7-19-10)15-6-11-13-3-4-16(11)2/h3-4,9-10,12,15,18H,5-7H2,1-2H3,(H,14,17)/t9-,10-,12+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]acetamide?
N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]acetamide has a molecular weight of 268.32 g/mol, XLogP of -1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 75536510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).