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

C15H26N4O3 — CID 75536528

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC[C@H]1OC[C@@H](NCc2ncc[nH]2)[C@@H]1O
InChIInChI=1S/C15H26N4O3/c1-15(2,3)6-13(20)19-7-11-14(21)10(9-22-11)18-8-12-16-4-5-17-12/h4-5,10-11,14,18,21H,6-9H2,1-3H3,(H,16,17)(H,19,20)/t10-,11-,14+/m1/s1
InChIKeyPRSLNLIIHSMMBC-GYSYKLTISA-N
MW310.40 g/mol
LogP0.18
Rot. Bonds6

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

N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide (PubChem CID 75536528) 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-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide
PubChem CID75536528
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC[C@H]1OC[C@@H](NCc2ncc[nH]2)[C@@H]1O
InChIInChI=1S/C15H26N4O3/c1-15(2,3)6-13(20)19-7-11-14(21)10(9-22-11)18-8-12-16-4-5-17-12/h4-5,10-11,14,18,21H,6-9H2,1-3H3,(H,16,17)(H,19,20)/t10-,11-,14+/m1/s1
InChIKeyPRSLNLIIHSMMBC-GYSYKLTISA-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

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

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Related Compounds

N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide
CID 75536529
N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide
CID 75536567
1-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3-propan-2-ylurea
CID 75536737
N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide
CID 75536761
N-[(2S,3S,4S)-2-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-2-carboxamide
CID 67677021
N-[(2R,3R,4S,5S)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-2-carboxamide
CID 67677266
N-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
CID 75536470
N-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide
CID 75536482
N-[[(2R,3S,4R)-4-[bis[(1-methylimidazol-2-yl)methyl]amino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
CID 75536486
N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]acetamide
CID 75536510
N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide
CID 75536527
N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 75536548

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide (CID 75536528) is N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NC[C@H]1OC[C@@H](NCc2ncc[nH]2)[C@@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide?
The InChIKey is PRSLNLIIHSMMBC-GYSYKLTISA-N. The full InChI is InChI=1S/C15H26N4O3/c1-15(2,3)6-13(20)19-7-11-14(21)10(9-22-11)18-8-12-16-4-5-17-12/h4-5,10-11,14,18,21H,6-9H2,1-3H3,(H,16,17)(H,19,20)/t10-,11-,14+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide?
N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-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-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 75536528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).