N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide

C15H26N4O3 — CID 75536527

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC[C@H]1OC[C@@H](NCc2cnc[nH]2)[C@@H]1O
InChIInChI=1S/C15H26N4O3/c1-15(2,3)4-13(20)18-7-12-14(21)11(8-22-12)17-6-10-5-16-9-19-10/h5,9,11-12,14,17,21H,4,6-8H2,1-3H3,(H,16,19)(H,18,20)/t11-,12-,14+/m1/s1
InChIKeyJWWOWYBOPUUBGB-BZPMIXESSA-N
MW310.40 g/mol
LogP0.18
Rot. Bonds6

About N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide

N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide (PubChem CID 75536527) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide
PubChem CID75536527
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC[C@H]1OC[C@@H](NCc2cnc[nH]2)[C@@H]1O
InChIInChI=1S/C15H26N4O3/c1-15(2,3)4-13(20)18-7-12-14(21)11(8-22-12)17-6-10-5-16-9-19-10/h5,9,11-12,14,17,21H,4,6-8H2,1-3H3,(H,16,19)(H,18,20)/t11-,12-,14+/m1/s1
InChIKeyJWWOWYBOPUUBGB-BZPMIXESSA-N
XLogP0.18
TPSA99.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide (CID 75536527) is N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NC[C@H]1OC[C@@H](NCc2cnc[nH]2)[C@@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide?
The InChIKey is JWWOWYBOPUUBGB-BZPMIXESSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-15(2,3)4-13(20)18-7-12-14(21)11(8-22-12)17-6-10-5-16-9-19-10/h5,9,11-12,14,17,21H,4,6-8H2,1-3H3,(H,16,19)(H,18,20)/t11-,12-,14+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide?
N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide has a molecular weight of 310.40 g/mol, XLogP of 0.18, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 75536527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).