(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid

C15H24N2O5 — CID 67068661

IUPAC(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](N)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C9H11NO3.C6H13NO2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;1-3-4(2)5(7)6(8)9/h1-4,8,11H,5,10H2,(H,12,13);4-5H,3,7H2,1-2H3,(H,8,9)/t8-;4-,5-/m00/s1
InChIKeyGFFCOMUMDVGOEW-GDZDFWBTSA-N
MW312.37 g/mol
LogP0.79
Rot. Bonds6

About (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid

(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid (PubChem CID 67068661) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid
PubChem CID67068661
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Name(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](N)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C9H11NO3.C6H13NO2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;1-3-4(2)5(7)6(8)9/h1-4,8,11H,5,10H2,(H,12,13);4-5H,3,7H2,1-2H3,(H,8,9)/t8-;4-,5-/m00/s1
InChIKeyGFFCOMUMDVGOEW-GDZDFWBTSA-N
XLogP0.79
TPSA146.87 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-2-amino-3-methylpentanoic acid;(2R)-2-amino-3-phenylpropanoic acid
CID 67068667
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid
CID 67120739
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2R)-2-amino-3-methylbutanoic acid
CID 161457314
(2S)-2-amino-3-hydroxypropanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid)
CID 68665630
(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 (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid?
The IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid (CID 67068661) is (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid is CC[C@H](C)[C@H](N)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid?
The InChIKey is GFFCOMUMDVGOEW-GDZDFWBTSA-N. The full InChI is InChI=1S/C9H11NO3.C6H13NO2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;1-3-4(2)5(7)6(8)9/h1-4,8,11H,5,10H2,(H,12,13);4-5H,3,7H2,1-2H3,(H,8,9)/t8-;4-,5-/m00/s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid?
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid has a molecular weight of 312.37 g/mol, XLogP of 0.79, 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-(4-hydroxyphenyl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid is sourced from PubChem (CID 67068661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).