[(2R)-1-hydroxy-4-(4-hydroxyphenyl)-2-methylbutan-2-yl]carbamic acid

C12H17NO4 — CID 68992190

IUPAC[(2R)-1-hydroxy-4-(4-hydroxyphenyl)-2-methylbutan-2-yl]carbamic acid
SMILESC[C@](CO)(CCc1ccc(O)cc1)NC(=O)O
InChIInChI=1S/C12H17NO4/c1-12(8-14,13-11(16)17)7-6-9-2-4-10(15)5-3-9/h2-5,13-15H,6-8H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyYYAHRFAGGMGYAT-GFCCVEGCSA-N
MW239.27 g/mol
LogP1.34
Rot. Bonds5

About [(2R)-1-hydroxy-4-(4-hydroxyphenyl)-2-methylbutan-2-yl]carbamic acid

[(2R)-1-hydroxy-4-(4-hydroxyphenyl)-2-methylbutan-2-yl]carbamic acid (PubChem CID 68992190) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is [(2R)-1-hydroxy-4-(4-hydroxyphenyl)-2-methylbutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-1-hydroxy-4-(4-hydroxyphenyl)-2-methylbutan-2-yl]carbamic acid
PubChem CID68992190
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name[(2R)-1-hydroxy-4-(4-hydroxyphenyl)-2-methylbutan-2-yl]carbamic acid
SMILESC[C@](CO)(CCc1ccc(O)cc1)NC(=O)O
InChIInChI=1S/C12H17NO4/c1-12(8-14,13-11(16)17)7-6-9-2-4-10(15)5-3-9/h2-5,13-15H,6-8H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyYYAHRFAGGMGYAT-GFCCVEGCSA-N
XLogP1.34
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-hydroxy-3-methyl-3-(methylamino)butyl]phenol
CID 61055515
4-[3-(benzylamino)-4-hydroxy-3-methylbutyl]phenol
CID 61046174
[4-[4-heptoxy-3-(trifluoromethyl)phenyl]-1-hydroxy-2-methylbutan-2-yl]carbamic acid
CID 152764439
[4-[4-(aminomethyl)phenyl]-2-methylbutan-2-yl]carbamic acid
CID 174694781
N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503230
2-[[2-(4-hydroxyphenyl)acetyl]amino]-2-methylpropanoic acid
CID 61262622
2-[2-(4-hydroxyphenyl)ethyl]propane-1,2,3-triol
CID 141207960
4-(3,3-difluorobutyl)phenol
CID 84660566
(1-hydroxy-2-methylheptan-2-yl)carbamic acid
CID 122585217
[(2S)-3-hydroxy-1-(4-hydroxyanilino)-2-methyl-1-oxopropan-2-yl]carbamic acid
CID 69120648
2-ethyl-3-hydroxy-5-(4-hydroxyphenyl)-3-methylpentanoic acid
CID 62399032
4-[3-[4-(3,3-dimethylbutyl)phenyl]propyl]phenol
CID 58897702

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-hydroxy-4-(4-hydroxyphenyl)-2-methylbutan-2-yl]carbamic acid?
The IUPAC name of [(2R)-1-hydroxy-4-(4-hydroxyphenyl)-2-methylbutan-2-yl]carbamic acid (CID 68992190) is [(2R)-1-hydroxy-4-(4-hydroxyphenyl)-2-methylbutan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-1-hydroxy-4-(4-hydroxyphenyl)-2-methylbutan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-1-hydroxy-4-(4-hydroxyphenyl)-2-methylbutan-2-yl]carbamic acid is C[C@](CO)(CCc1ccc(O)cc1)NC(=O)O.
What is the InChIKey of [(2R)-1-hydroxy-4-(4-hydroxyphenyl)-2-methylbutan-2-yl]carbamic acid?
The InChIKey is YYAHRFAGGMGYAT-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17NO4/c1-12(8-14,13-11(16)17)7-6-9-2-4-10(15)5-3-9/h2-5,13-15H,6-8H2,1H3,(H,16,17)/t12-/m1/s1.
What are the key properties of [(2R)-1-hydroxy-4-(4-hydroxyphenyl)-2-methylbutan-2-yl]carbamic acid?
[(2R)-1-hydroxy-4-(4-hydroxyphenyl)-2-methylbutan-2-yl]carbamic acid has a molecular weight of 239.27 g/mol, XLogP of 1.34, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-hydroxy-4-(4-hydroxyphenyl)-2-methylbutan-2-yl]carbamic acid is sourced from PubChem (CID 68992190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).