(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride

C10H17ClN2O3 — CID 70404893

IUPAC(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride
SMILESCN.Cl.N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C9H11NO3.CH5N.ClH/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;1-2;/h1-4,8,11H,5,10H2,(H,12,13);2H2,1H3;1H/t8-;;/m0../s1
InChIKeyOWDFXVWVXXJBJU-JZGIKJSDSA-N
MW248.71 g/mol
LogP0.34
Rot. Bonds3

About (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride

(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride (PubChem CID 70404893) has the molecular formula C10H17ClN2O3 and a molecular weight of 248.71 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride
PubChem CID70404893
Molecular FormulaC10H17ClN2O3
Molecular Weight248.71 g/mol
Exact Mass248.09
IUPAC Name(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride
SMILESCN.Cl.N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C9H11NO3.CH5N.ClH/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;1-2;/h1-4,8,11H,5,10H2,(H,12,13);2H2,1H3;1H/t8-;;/m0../s1
InChIKeyOWDFXVWVXXJBJU-JZGIKJSDSA-N
XLogP0.34
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrazine
CID 22117080
L-Tyrosine (disodium)
CID 66602062
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane
CID 87217970
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane
CID 161476497
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 66692874
2-amino-3-(4-hydroxyphenyl)propanoic acid;urea
CID 18402054
disodium;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 170924153
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methylsulfinylmethane
CID 70446707
2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-hydroxypropanoic acid
CID 22500201

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride?
The IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride (CID 70404893) is (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride is CN.Cl.N[C@@H](Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride?
The InChIKey is OWDFXVWVXXJBJU-JZGIKJSDSA-N. The full InChI is InChI=1S/C9H11NO3.CH5N.ClH/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;1-2;/h1-4,8,11H,5,10H2,(H,12,13);2H2,1H3;1H/t8-;;/m0../s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride?
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride has a molecular weight of 248.71 g/mol, XLogP of 0.34, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride is sourced from PubChem (CID 70404893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).