[(2R,3S)-3-(dimethylamino)-4-oxo-4-propan-2-yloxybutan-2-yl] imidazole-1-carboxylate

C13H21N3O4 — CID 169043110

IUPAC[(2R,3S)-3-(dimethylamino)-4-oxo-4-propan-2-yloxybutan-2-yl] imidazole-1-carboxylate
SMILESCC(C)OC(=O)[C@H]([C@@H](C)OC(=O)n1ccnc1)N(C)C
InChIInChI=1S/C13H21N3O4/c1-9(2)19-12(17)11(15(4)5)10(3)20-13(18)16-7-6-14-8-16/h6-11H,1-5H3/t10-,11+/m1/s1
InChIKeyOMUOKRPIFSOZSR-MNOVXSKESA-N
MW283.33 g/mol
LogP1.14
Rot. Bonds5

About [(2R,3S)-3-(dimethylamino)-4-oxo-4-propan-2-yloxybutan-2-yl] imidazole-1-carboxylate

[(2R,3S)-3-(dimethylamino)-4-oxo-4-propan-2-yloxybutan-2-yl] imidazole-1-carboxylate (PubChem CID 169043110) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is [(2R,3S)-3-(dimethylamino)-4-oxo-4-propan-2-yloxybutan-2-yl] imidazole-1-carboxylate.

Molecular Properties

Compound Name[(2R,3S)-3-(dimethylamino)-4-oxo-4-propan-2-yloxybutan-2-yl] imidazole-1-carboxylate
PubChem CID169043110
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name[(2R,3S)-3-(dimethylamino)-4-oxo-4-propan-2-yloxybutan-2-yl] imidazole-1-carboxylate
SMILESCC(C)OC(=O)[C@H]([C@@H](C)OC(=O)n1ccnc1)N(C)C
InChIInChI=1S/C13H21N3O4/c1-9(2)19-12(17)11(15(4)5)10(3)20-13(18)16-7-6-14-8-16/h6-11H,1-5H3/t10-,11+/m1/s1
InChIKeyOMUOKRPIFSOZSR-MNOVXSKESA-N
XLogP1.14
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

imidazole-1-carboxamide;propan-2-ol
CID 121360857
2-methoxyethyl imidazole-1-carboxylate
CID 10583275
[2-(imidazole-1-carbonyloxy)-3-(pyrrole-1-carbonyloxy)propyl] imidazole-1-carboxylate
CID 166007787
(4-imidazol-1-yl-4-oxobutan-2-yl) carbamate
CID 175422080
(2-propan-2-yloxyphenyl) imidazole-1-carboxylate
CID 68958363
butyl imidazole-1-carboxylate
CID 12840941
N-cyclopentyl-N-methylimidazole-1-carboxamide
CID 112723542
N-methyl-N-propylimidazole-1-carboxamide
CID 78983424
1-cyclohex-3-en-1-ylprop-2-enyl imidazole-1-carboxylate
CID 10609618
N-cyclopentyloxyimidazole-1-carboxamide
CID 83198309
N-ethoxyimidazole-1-carboxamide
CID 71385822
[(Z)-2-[methyl-(methylideneamino)amino]but-2-enyl] imidazole-1-carboxylate
CID 142433669

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-(dimethylamino)-4-oxo-4-propan-2-yloxybutan-2-yl] imidazole-1-carboxylate?
The IUPAC name of [(2R,3S)-3-(dimethylamino)-4-oxo-4-propan-2-yloxybutan-2-yl] imidazole-1-carboxylate (CID 169043110) is [(2R,3S)-3-(dimethylamino)-4-oxo-4-propan-2-yloxybutan-2-yl] imidazole-1-carboxylate.
What is the SMILES notation for [(2R,3S)-3-(dimethylamino)-4-oxo-4-propan-2-yloxybutan-2-yl] imidazole-1-carboxylate?
The canonical SMILES for [(2R,3S)-3-(dimethylamino)-4-oxo-4-propan-2-yloxybutan-2-yl] imidazole-1-carboxylate is CC(C)OC(=O)[C@H]([C@@H](C)OC(=O)n1ccnc1)N(C)C.
What is the InChIKey of [(2R,3S)-3-(dimethylamino)-4-oxo-4-propan-2-yloxybutan-2-yl] imidazole-1-carboxylate?
The InChIKey is OMUOKRPIFSOZSR-MNOVXSKESA-N. The full InChI is InChI=1S/C13H21N3O4/c1-9(2)19-12(17)11(15(4)5)10(3)20-13(18)16-7-6-14-8-16/h6-11H,1-5H3/t10-,11+/m1/s1.
What are the key properties of [(2R,3S)-3-(dimethylamino)-4-oxo-4-propan-2-yloxybutan-2-yl] imidazole-1-carboxylate?
[(2R,3S)-3-(dimethylamino)-4-oxo-4-propan-2-yloxybutan-2-yl] imidazole-1-carboxylate has a molecular weight of 283.33 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-(dimethylamino)-4-oxo-4-propan-2-yloxybutan-2-yl] imidazole-1-carboxylate is sourced from PubChem (CID 169043110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).