(2R)-2-(aminomethyl)-3-(4-hydroxyphenyl)propanoic acid;hydrochloride

C10H14ClNO3 — CID 170897457

IUPAC(2R)-2-(aminomethyl)-3-(4-hydroxyphenyl)propanoic acid;hydrochloride
SMILESCl.NC[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C10H13NO3.ClH/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7;/h1-4,8,12H,5-6,11H2,(H,13,14);1H/t8-;/m1./s1
InChIKeyPTLWPCFPGFZIRA-DDWIOCJRSA-N
MW231.68 g/mol
LogP1.02
Rot. Bonds4

About (2R)-2-(aminomethyl)-3-(4-hydroxyphenyl)propanoic acid;hydrochloride

(2R)-2-(aminomethyl)-3-(4-hydroxyphenyl)propanoic acid;hydrochloride (PubChem CID 170897457) has the molecular formula C10H14ClNO3 and a molecular weight of 231.68 g/mol. Its IUPAC name is (2R)-2-(aminomethyl)-3-(4-hydroxyphenyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(aminomethyl)-3-(4-hydroxyphenyl)propanoic acid;hydrochloride
PubChem CID170897457
Molecular FormulaC10H14ClNO3
Molecular Weight231.68 g/mol
Exact Mass231.07
IUPAC Name(2R)-2-(aminomethyl)-3-(4-hydroxyphenyl)propanoic acid;hydrochloride
SMILESCl.NC[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C10H13NO3.ClH/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7;/h1-4,8,12H,5-6,11H2,(H,13,14);1H/t8-;/m1./s1
InChIKeyPTLWPCFPGFZIRA-DDWIOCJRSA-N
XLogP1.02
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(aminomethyl)-3-(4-phenylphenyl)propanoic acid
CID 29061371
(2R)-2-(aminomethyl)-3-(4-propan-2-ylphenyl)propanoic acid
CID 42329583
(2S)-2-(aminomethyl)-3-(4-propan-2-ylphenyl)propanoic acid
CID 42329580
(2R)-2-(aminomethyl)-3-[4-(dimethylamino)phenyl]propanoic acid
CID 42079765
(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
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride
CID 70404893
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrazine
CID 22117080
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane
CID 161476497
L-Tyrosine (disodium)
CID 66602062
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane
CID 87217970

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(aminomethyl)-3-(4-hydroxyphenyl)propanoic acid;hydrochloride?
The IUPAC name of (2R)-2-(aminomethyl)-3-(4-hydroxyphenyl)propanoic acid;hydrochloride (CID 170897457) is (2R)-2-(aminomethyl)-3-(4-hydroxyphenyl)propanoic acid;hydrochloride.
What is the SMILES notation for (2R)-2-(aminomethyl)-3-(4-hydroxyphenyl)propanoic acid;hydrochloride?
The canonical SMILES for (2R)-2-(aminomethyl)-3-(4-hydroxyphenyl)propanoic acid;hydrochloride is Cl.NC[C@@H](Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of (2R)-2-(aminomethyl)-3-(4-hydroxyphenyl)propanoic acid;hydrochloride?
The InChIKey is PTLWPCFPGFZIRA-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H13NO3.ClH/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7;/h1-4,8,12H,5-6,11H2,(H,13,14);1H/t8-;/m1./s1.
What are the key properties of (2R)-2-(aminomethyl)-3-(4-hydroxyphenyl)propanoic acid;hydrochloride?
(2R)-2-(aminomethyl)-3-(4-hydroxyphenyl)propanoic acid;hydrochloride has a molecular weight of 231.68 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(aminomethyl)-3-(4-hydroxyphenyl)propanoic acid;hydrochloride is sourced from PubChem (CID 170897457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).