Carbamic acid, N-(3-hydroxyphenyl)-, ethyl ester
C₉H₁₁NO₃·181.190 g/mol·CID 23548
IUPAC: ethyl N-(3-hydroxyphenyl)carbamate
Also known as: RefChem:574002, Ethyl (3-hydroxyphenyl)carbamate, 7159-96-8, Ethyl N-(3-hydroxyphenyl)carbamate, Ethyl 3-hydroxyphenylcarbamate (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
181.190g/mol
Exact Mass
181.073893Da
Monoisotopic Mass
181.073893Da
XLogP
1.9
Polar Surface Area
58.6Ų
Complexity
172
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
3
Rotatable Bonds
3
Heavy Atoms
13
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 181.2 g/mol
MW ≤ 500
✓ 1.9
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C9H11NO3/c1-2-13-9(12)10-7-4-3-5-8(11)6-7/h3-6,11H,2H2,1H3,(H,10,12)
Isomers8 compounds with formula C₉H₁₁NO₃
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid
CID 6057 · 181.2 g/mol
1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone
CID 7436 · 181.2 g/mol
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid
CID 71098 · 181.2 g/mol
(2-hydroxy-2-phenylethyl) carbamate
CID 7186 · 181.2 g/mol
2-amino-3-(4-hydroxyphenyl)propanoic acid
CID 1153 · 181.2 g/mol
(2S)-2-amino-3-(3-hydroxyphenyl)propanoic acid
CID 6950578 · 181.2 g/mol
(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoate
CID 6942100 · 181.2 g/mol
2-azaniumyl-3-(4-hydroxyphenyl)propanoate
CID 4300518 · 181.2 g/mol