(2R)-2-(4-hydroxyphenyl)propanoic acid;(1S)-1-phenylethanamine

C17H21NO3 — CID 162087543

IUPAC(2R)-2-(4-hydroxyphenyl)propanoic acid;(1S)-1-phenylethanamine
SMILESC[C@@H](C(=O)O)c1ccc(O)cc1.C[C@H](N)c1ccccc1
InChIInChI=1S/C9H10O3.C8H11N/c1-6(9(11)12)7-2-4-8(10)5-3-7;1-7(9)8-5-3-2-4-6-8/h2-6,10H,1H3,(H,11,12);2-7H,9H2,1H3/t6-;7-/m10/s1
InChIKeyZDEAYUJFOMJRJH-NBFIYYEBSA-N
MW287.36 g/mol
LogP3.29
Rot. Bonds3

About (2R)-2-(4-hydroxyphenyl)propanoic acid;(1S)-1-phenylethanamine

(2R)-2-(4-hydroxyphenyl)propanoic acid;(1S)-1-phenylethanamine (PubChem CID 162087543) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2R)-2-(4-hydroxyphenyl)propanoic acid;(1S)-1-phenylethanamine.

Molecular Properties

Compound Name(2R)-2-(4-hydroxyphenyl)propanoic acid;(1S)-1-phenylethanamine
PubChem CID162087543
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name(2R)-2-(4-hydroxyphenyl)propanoic acid;(1S)-1-phenylethanamine
SMILESC[C@@H](C(=O)O)c1ccc(O)cc1.C[C@H](N)c1ccccc1
InChIInChI=1S/C9H10O3.C8H11N/c1-6(9(11)12)7-2-4-8(10)5-3-7;1-7(9)8-5-3-2-4-6-8/h2-6,10H,1H3,(H,11,12);2-7H,9H2,1H3/t6-;7-/m10/s1
InChIKeyZDEAYUJFOMJRJH-NBFIYYEBSA-N
XLogP3.29
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenylpropanoic acid;hydrate
CID 139796091
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenylpropanoic acid;dihydrochloride
CID 162109025
(1R)-1-phenylethanamine;propan-2-one
CID 54416751
4-[(1R)-1-aminoethyl]phenol;hydrochloride
CID 127264624
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
bis(3-phenylbutan-2-one);2-phenylpropanoic acid
CID 143307414
benzene-1,2-diol;1-phenylethanamine
CID 174442381
ethane-1,2-diol;2-phenylpropanoic acid
CID 175461834
4-[(1S)-1-aminoethyl]phenol;(2R)-2-hydroxybutanedioic acid
CID 127256278
2-(4-hydroxyphenyl)propanoic acid;pentan-1-amine
CID 175319650
ethane;(1R)-1-phenylethanamine
CID 142977390

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-hydroxyphenyl)propanoic acid;(1S)-1-phenylethanamine?
The IUPAC name of (2R)-2-(4-hydroxyphenyl)propanoic acid;(1S)-1-phenylethanamine (CID 162087543) is (2R)-2-(4-hydroxyphenyl)propanoic acid;(1S)-1-phenylethanamine.
What is the SMILES notation for (2R)-2-(4-hydroxyphenyl)propanoic acid;(1S)-1-phenylethanamine?
The canonical SMILES for (2R)-2-(4-hydroxyphenyl)propanoic acid;(1S)-1-phenylethanamine is C[C@@H](C(=O)O)c1ccc(O)cc1.C[C@H](N)c1ccccc1.
What is the InChIKey of (2R)-2-(4-hydroxyphenyl)propanoic acid;(1S)-1-phenylethanamine?
The InChIKey is ZDEAYUJFOMJRJH-NBFIYYEBSA-N. The full InChI is InChI=1S/C9H10O3.C8H11N/c1-6(9(11)12)7-2-4-8(10)5-3-7;1-7(9)8-5-3-2-4-6-8/h2-6,10H,1H3,(H,11,12);2-7H,9H2,1H3/t6-;7-/m10/s1.
What are the key properties of (2R)-2-(4-hydroxyphenyl)propanoic acid;(1S)-1-phenylethanamine?
(2R)-2-(4-hydroxyphenyl)propanoic acid;(1S)-1-phenylethanamine has a molecular weight of 287.36 g/mol, XLogP of 3.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-hydroxyphenyl)propanoic acid;(1S)-1-phenylethanamine is sourced from PubChem (CID 162087543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).