[(3R)-1-(4-hydroxyphenyl)-4,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamic acid

C18H27NO5 — CID 67649683

IUPAC[(3R)-1-(4-hydroxyphenyl)-4,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamic acid
SMILESCC(C)(C)O[C@@H](C(NC(=O)O)C(=O)c1ccc(O)cc1)C(C)(C)C
InChIInChI=1S/C18H27NO5/c1-17(2,3)15(24-18(4,5)6)13(19-16(22)23)14(21)11-7-9-12(20)10-8-11/h7-10,13,15,19-20H,1-6H3,(H,22,23)/t13?,15-/m0/s1
InChIKeyNXOBNGSYSYIUOE-WUJWULDRSA-N
MW337.42 g/mol
LogP3.44
Rot. Bonds5

About [(3R)-1-(4-hydroxyphenyl)-4,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamic acid

[(3R)-1-(4-hydroxyphenyl)-4,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamic acid (PubChem CID 67649683) has the molecular formula C18H27NO5 and a molecular weight of 337.42 g/mol. Its IUPAC name is [(3R)-1-(4-hydroxyphenyl)-4,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(3R)-1-(4-hydroxyphenyl)-4,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamic acid
PubChem CID67649683
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC Name[(3R)-1-(4-hydroxyphenyl)-4,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamic acid
SMILESCC(C)(C)O[C@@H](C(NC(=O)O)C(=O)c1ccc(O)cc1)C(C)(C)C
InChIInChI=1S/C18H27NO5/c1-17(2,3)15(24-18(4,5)6)13(19-16(22)23)14(21)11-7-9-12(20)10-8-11/h7-10,13,15,19-20H,1-6H3,(H,22,23)/t13?,15-/m0/s1
InChIKeyNXOBNGSYSYIUOE-WUJWULDRSA-N
XLogP3.44
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [(3R)-1-(4-hydroxyphenyl)-4,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamic acid with MolForge

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Related Compounds

[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 67570149
tert-butyl 3-(4-hydroxyphenyl)-2-(methylamino)-3-oxopropanoate
CID 57287091
tert-butyl N-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate
CID 174419381
[(2S)-3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamic acid
CID 67569919
tert-butyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate
CID 15743702
[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl]carbamic acid
CID 141043389
tert-butyl N-[(2S,3R)-1-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate
CID 139886086
4-hydroxy(11C)benzoic acid
CID 11275035
4-hydroxybenzoic acid;methyl 4-hydroxybenzoate
CID 67377011
[(1R)-1-(4-hydroxyphenyl)ethyl]carbamic acid
CID 69395015
(2S)-2-amino-1-(4-hydroxyphenyl)-3-methylbutan-1-one
CID 67900502
[(1S)-1-(4-hydroxyphenyl)ethyl]carbamic acid
CID 69394441

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(4-hydroxyphenyl)-4,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamic acid?
The IUPAC name of [(3R)-1-(4-hydroxyphenyl)-4,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamic acid (CID 67649683) is [(3R)-1-(4-hydroxyphenyl)-4,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamic acid.
What is the SMILES notation for [(3R)-1-(4-hydroxyphenyl)-4,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamic acid?
The canonical SMILES for [(3R)-1-(4-hydroxyphenyl)-4,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamic acid is CC(C)(C)O[C@@H](C(NC(=O)O)C(=O)c1ccc(O)cc1)C(C)(C)C.
What is the InChIKey of [(3R)-1-(4-hydroxyphenyl)-4,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamic acid?
The InChIKey is NXOBNGSYSYIUOE-WUJWULDRSA-N. The full InChI is InChI=1S/C18H27NO5/c1-17(2,3)15(24-18(4,5)6)13(19-16(22)23)14(21)11-7-9-12(20)10-8-11/h7-10,13,15,19-20H,1-6H3,(H,22,23)/t13?,15-/m0/s1.
What are the key properties of [(3R)-1-(4-hydroxyphenyl)-4,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamic acid?
[(3R)-1-(4-hydroxyphenyl)-4,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamic acid has a molecular weight of 337.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(4-hydroxyphenyl)-4,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamic acid is sourced from PubChem (CID 67649683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).