(4S)-2-amino-4-[(2-methylpropan-2-yl)oxymethyl]-1,4-dihydroimidazol-5-one

C8H15N3O2 — CID 59640961

IUPAC(4S)-2-amino-4-[(2-methylpropan-2-yl)oxymethyl]-1,4-dihydroimidazol-5-one
SMILESCC(C)(C)OC[C@@H]1N=C(N)NC1=O
InChIInChI=1S/C8H15N3O2/c1-8(2,3)13-4-5-6(12)11-7(9)10-5/h5H,4H2,1-3H3,(H3,9,10,11,12)/t5-/m0/s1
InChIKeyGJQQBXSUOKPQQG-YFKPBYRVSA-N
MW185.23 g/mol
LogP-0.39
Rot. Bonds2

About (4S)-2-amino-4-[(2-methylpropan-2-yl)oxymethyl]-1,4-dihydroimidazol-5-one

(4S)-2-amino-4-[(2-methylpropan-2-yl)oxymethyl]-1,4-dihydroimidazol-5-one (PubChem CID 59640961) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is (4S)-2-amino-4-[(2-methylpropan-2-yl)oxymethyl]-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name(4S)-2-amino-4-[(2-methylpropan-2-yl)oxymethyl]-1,4-dihydroimidazol-5-one
PubChem CID59640961
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name(4S)-2-amino-4-[(2-methylpropan-2-yl)oxymethyl]-1,4-dihydroimidazol-5-one
SMILESCC(C)(C)OC[C@@H]1N=C(N)NC1=O
InChIInChI=1S/C8H15N3O2/c1-8(2,3)13-4-5-6(12)11-7(9)10-5/h5H,4H2,1-3H3,(H3,9,10,11,12)/t5-/m0/s1
InChIKeyGJQQBXSUOKPQQG-YFKPBYRVSA-N
XLogP-0.39
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-4-[(2-methylpropan-2-yl)oxymethyl]-1,4-dihydroimidazol-5-one
CID 17952871
(4R)-2-amino-4-[(2-methylpropan-2-yl)oxymethyl]-1,4-dihydroimidazol-5-one
CID 59641095
2-amino-4-(methoxymethyl)-4-methyl-1H-imidazol-5-one
CID 82996741
2-(tert-butylamino)-4-(methoxymethyl)-4-methyl-1H-imidazol-5-one
CID 82998973
2-Amino-4-(methoxymethyl)-1,4-dihydroimidazol-5-one
CID 83136823
2-amino-4-(ethoxymethyl)-4-methyl-1H-imidazol-5-one
CID 116248875
2-(tert-butylamino)-4-(ethoxymethyl)-4-methyl-1H-imidazol-5-one
CID 116248881
2-Amino-4-(2-methoxypropan-2-yl)-1,4-dihydroimidazol-5-one
CID 126999904
4-(Methoxymethyl)-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one
CID 133639510
5-(Ethoxymethyl)-5-methyl-2-propan-2-yliminoimidazolidin-4-one
CID 136969107

Frequently Asked Questions

What is the IUPAC name of (4S)-2-amino-4-[(2-methylpropan-2-yl)oxymethyl]-1,4-dihydroimidazol-5-one?
The IUPAC name of (4S)-2-amino-4-[(2-methylpropan-2-yl)oxymethyl]-1,4-dihydroimidazol-5-one (CID 59640961) is (4S)-2-amino-4-[(2-methylpropan-2-yl)oxymethyl]-1,4-dihydroimidazol-5-one.
What is the SMILES notation for (4S)-2-amino-4-[(2-methylpropan-2-yl)oxymethyl]-1,4-dihydroimidazol-5-one?
The canonical SMILES for (4S)-2-amino-4-[(2-methylpropan-2-yl)oxymethyl]-1,4-dihydroimidazol-5-one is CC(C)(C)OC[C@@H]1N=C(N)NC1=O.
What is the InChIKey of (4S)-2-amino-4-[(2-methylpropan-2-yl)oxymethyl]-1,4-dihydroimidazol-5-one?
The InChIKey is GJQQBXSUOKPQQG-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-8(2,3)13-4-5-6(12)11-7(9)10-5/h5H,4H2,1-3H3,(H3,9,10,11,12)/t5-/m0/s1.
What are the key properties of (4S)-2-amino-4-[(2-methylpropan-2-yl)oxymethyl]-1,4-dihydroimidazol-5-one?
(4S)-2-amino-4-[(2-methylpropan-2-yl)oxymethyl]-1,4-dihydroimidazol-5-one has a molecular weight of 185.23 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-amino-4-[(2-methylpropan-2-yl)oxymethyl]-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 59640961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).