(2S)-2-amino-3-phenylpropanoic acid;2-hydroxy-3-(4-hydroxyphenyl)propanoic acid

C18H21NO6 — CID 121320325

IUPAC(2S)-2-amino-3-phenylpropanoic acid;2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
SMILESN[C@@H](Cc1ccccc1)C(=O)O.O=C(O)C(O)Cc1ccc(O)cc1
InChIInChI=1S/C9H11NO2.C9H10O4/c10-8(9(11)12)6-7-4-2-1-3-5-7;10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-5,8H,6,10H2,(H,11,12);1-4,8,10-11H,5H2,(H,12,13)/t8-;/m0./s1
InChIKeyALWQKYWGTUWVDI-QRPNPIFTSA-N
MW347.37 g/mol
LogP1.02
Rot. Bonds6

About (2S)-2-amino-3-phenylpropanoic acid;2-hydroxy-3-(4-hydroxyphenyl)propanoic acid

(2S)-2-amino-3-phenylpropanoic acid;2-hydroxy-3-(4-hydroxyphenyl)propanoic acid (PubChem CID 121320325) has the molecular formula C18H21NO6 and a molecular weight of 347.37 g/mol. Its IUPAC name is (2S)-2-amino-3-phenylpropanoic acid;2-hydroxy-3-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-phenylpropanoic acid;2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
PubChem CID121320325
Molecular FormulaC18H21NO6
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name(2S)-2-amino-3-phenylpropanoic acid;2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
SMILESN[C@@H](Cc1ccccc1)C(=O)O.O=C(O)C(O)Cc1ccc(O)cc1
InChIInChI=1S/C9H11NO2.C9H10O4/c10-8(9(11)12)6-7-4-2-1-3-5-7;10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-5,8H,6,10H2,(H,11,12);1-4,8,10-11H,5H2,(H,12,13)/t8-;/m0./s1
InChIKeyALWQKYWGTUWVDI-QRPNPIFTSA-N
XLogP1.02
TPSA141.08 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-(4-aminophenyl)propanoic acid;deuterium monohydride;2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
CID 157487068
(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;(2S)-2-amino-3-phenylpropanamide
CID 67854900
2-aminoacetic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-phenylpropanoic acid
CID 66894742
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrazine
CID 22117080
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane
CID 161476497
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane
CID 87217970
L-Tyrosine (disodium)
CID 66602062
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 66692874
2-amino-3-(4-hydroxyphenyl)propanoic acid;urea
CID 18402054

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenylpropanoic acid;2-hydroxy-3-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-phenylpropanoic acid;2-hydroxy-3-(4-hydroxyphenyl)propanoic acid (CID 121320325) is (2S)-2-amino-3-phenylpropanoic acid;2-hydroxy-3-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-phenylpropanoic acid;2-hydroxy-3-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-phenylpropanoic acid;2-hydroxy-3-(4-hydroxyphenyl)propanoic acid is N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)C(O)Cc1ccc(O)cc1.
What is the InChIKey of (2S)-2-amino-3-phenylpropanoic acid;2-hydroxy-3-(4-hydroxyphenyl)propanoic acid?
The InChIKey is ALWQKYWGTUWVDI-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H11NO2.C9H10O4/c10-8(9(11)12)6-7-4-2-1-3-5-7;10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-5,8H,6,10H2,(H,11,12);1-4,8,10-11H,5H2,(H,12,13)/t8-;/m0./s1.
What are the key properties of (2S)-2-amino-3-phenylpropanoic acid;2-hydroxy-3-(4-hydroxyphenyl)propanoic acid?
(2S)-2-amino-3-phenylpropanoic acid;2-hydroxy-3-(4-hydroxyphenyl)propanoic acid has a molecular weight of 347.37 g/mol, XLogP of 1.02, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenylpropanoic acid;2-hydroxy-3-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 121320325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).