methyl (2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoate;hydrochloride

C11H16ClNO3 — CID 70090324

IUPACmethyl (2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoate;hydrochloride
SMILESCN[C@@H](Cc1ccc(O)cc1)C(=O)OC.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-12-10(11(14)15-2)7-8-3-5-9(13)6-4-8;/h3-6,10,12-13H,7H2,1-2H3;1H/t10-;/m0./s1
InChIKeyWDKOAJLXXRRKEL-PPHPATTJSA-N
MW245.71 g/mol
LogP1.12
Rot. Bonds4

About methyl (2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoate;hydrochloride

methyl (2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoate;hydrochloride (PubChem CID 70090324) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is methyl (2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoate;hydrochloride
PubChem CID70090324
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Namemethyl (2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoate;hydrochloride
SMILESCN[C@@H](Cc1ccc(O)cc1)C(=O)OC.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-12-10(11(14)15-2)7-8-3-5-9(13)6-4-8;/h3-6,10,12-13H,7H2,1-2H3;1H/t10-;/m0./s1
InChIKeyWDKOAJLXXRRKEL-PPHPATTJSA-N
XLogP1.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

L-Tyrosine
CID 6057
N-Acetyl-L-tyrosine
CID 68310
3',5'-Diiodo-L-tyrosine
CID 9305
Metyrosine
CID 441350
3-Iodo-L-Tyrosine
CID 439744
alpha-Methyl-p-tyrosine
CID 3125
Leu-Enkephalin
CID 461776
3,5-Diiodotyrosine
CID 6181
D-Tyrosine
CID 71098
DL-Tyrosine
CID 1153
O-Methyl-L-Tyrosine
CID 2723935
3-fluoro-DL-tyrosine
CID 92100

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoate;hydrochloride?
The IUPAC name of methyl (2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoate;hydrochloride (CID 70090324) is methyl (2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoate;hydrochloride.
What is the SMILES notation for methyl (2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoate;hydrochloride?
The canonical SMILES for methyl (2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoate;hydrochloride is CN[C@@H](Cc1ccc(O)cc1)C(=O)OC.Cl.
What is the InChIKey of methyl (2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoate;hydrochloride?
The InChIKey is WDKOAJLXXRRKEL-PPHPATTJSA-N. The full InChI is InChI=1S/C11H15NO3.ClH/c1-12-10(11(14)15-2)7-8-3-5-9(13)6-4-8;/h3-6,10,12-13H,7H2,1-2H3;1H/t10-;/m0./s1.
What are the key properties of methyl (2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoate;hydrochloride?
methyl (2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoate;hydrochloride has a molecular weight of 245.71 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoate;hydrochloride is sourced from PubChem (CID 70090324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).