[(6R)-2-hydroxy-6-methyloxan-4-yl]-methylcarbamic acid

C8H15NO4 — CID 143853528

IUPAC[(6R)-2-hydroxy-6-methyloxan-4-yl]-methylcarbamic acid
SMILESC[C@@H]1CC(N(C)C(=O)O)CC(O)O1
InChIInChI=1S/C8H15NO4/c1-5-3-6(4-7(10)13-5)9(2)8(11)12/h5-7,10H,3-4H2,1-2H3,(H,11,12)/t5-,6?,7?/m1/s1
InChIKeyURICUMTWAUUWNN-GRQBKTHUSA-N
MW189.21 g/mol
LogP0.48
Rot. Bonds1

About [(6R)-2-hydroxy-6-methyloxan-4-yl]-methylcarbamic acid

[(6R)-2-hydroxy-6-methyloxan-4-yl]-methylcarbamic acid (PubChem CID 143853528) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is [(6R)-2-hydroxy-6-methyloxan-4-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[(6R)-2-hydroxy-6-methyloxan-4-yl]-methylcarbamic acid
PubChem CID143853528
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name[(6R)-2-hydroxy-6-methyloxan-4-yl]-methylcarbamic acid
SMILESC[C@@H]1CC(N(C)C(=O)O)CC(O)O1
InChIInChI=1S/C8H15NO4/c1-5-3-6(4-7(10)13-5)9(2)8(11)12/h5-7,10H,3-4H2,1-2H3,(H,11,12)/t5-,6?,7?/m1/s1
InChIKeyURICUMTWAUUWNN-GRQBKTHUSA-N
XLogP0.48
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[[(2-hydroxy-6-methyloxan-4-yl)-methylamino]methyl]cyclopropyl]ethanone
CID 145467842
4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-2-ol
CID 143476132
(6R)-4-(dimethylamino)-6-methyloxan-2-ol;ethane;prop-2-en-1-ol
CID 143853511
(2R)-4,6-dimethyloxan-2-ol
CID 142116366
methyl-[3-(propan-2-ylamino)cyclobutyl]carbamic acid
CID 68805154
(3S,6R)-3,4-dihydroxy-6-methyloxane-2-carboxylic acid
CID 137395580
cyclohex-3-en-1-yl(methyl)carbamic acid
CID 141218160
ethane;6-methyl-4-(methylamino)oxan-2-ol
CID 143053528
(2R,3S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol
CID 89217462
(2S,4R,5R,6S)-4-(dimethylamino)-6-methyloxane-2,5-diol
CID 90658743
methyl-(4-oxocyclohexyl)carbamic acid
CID 22236346
(2S,4S,5R,6R)-4-(dimethylamino)-6-methyloxane-2,5-diol
CID 57130951

Frequently Asked Questions

What is the IUPAC name of [(6R)-2-hydroxy-6-methyloxan-4-yl]-methylcarbamic acid?
The IUPAC name of [(6R)-2-hydroxy-6-methyloxan-4-yl]-methylcarbamic acid (CID 143853528) is [(6R)-2-hydroxy-6-methyloxan-4-yl]-methylcarbamic acid.
What is the SMILES notation for [(6R)-2-hydroxy-6-methyloxan-4-yl]-methylcarbamic acid?
The canonical SMILES for [(6R)-2-hydroxy-6-methyloxan-4-yl]-methylcarbamic acid is C[C@@H]1CC(N(C)C(=O)O)CC(O)O1.
What is the InChIKey of [(6R)-2-hydroxy-6-methyloxan-4-yl]-methylcarbamic acid?
The InChIKey is URICUMTWAUUWNN-GRQBKTHUSA-N. The full InChI is InChI=1S/C8H15NO4/c1-5-3-6(4-7(10)13-5)9(2)8(11)12/h5-7,10H,3-4H2,1-2H3,(H,11,12)/t5-,6?,7?/m1/s1.
What are the key properties of [(6R)-2-hydroxy-6-methyloxan-4-yl]-methylcarbamic acid?
[(6R)-2-hydroxy-6-methyloxan-4-yl]-methylcarbamic acid has a molecular weight of 189.21 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-2-hydroxy-6-methyloxan-4-yl]-methylcarbamic acid is sourced from PubChem (CID 143853528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).