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

C14H22N2O5 — CID 67120739

IUPAC(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid
SMILESCC(C)[C@H](N)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C9H11NO3.C5H11NO2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;1-3(2)4(6)5(7)8/h1-4,8,11H,5,10H2,(H,12,13);3-4H,6H2,1-2H3,(H,7,8)/t8-;4-/m00/s1
InChIKeyWBIDGRFAZWGRQK-IPIKRLCPSA-N
MW298.34 g/mol
LogP0.40
Rot. Bonds5

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

(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid (PubChem CID 67120739) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid
PubChem CID67120739
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid
SMILESCC(C)[C@H](N)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C9H11NO3.C5H11NO2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;1-3(2)4(6)5(7)8/h1-4,8,11H,5,10H2,(H,12,13);3-4H,6H2,1-2H3,(H,7,8)/t8-;4-/m00/s1
InChIKeyWBIDGRFAZWGRQK-IPIKRLCPSA-N
XLogP0.40
TPSA146.87 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2R)-2-amino-3-methylbutanoic acid
CID 161457314
(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
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid
CID 67068661
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-chlorophenyl)propanoic acid;2-amino-3-methylbutanoic acid
CID 22411398

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid?
The IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid (CID 67120739) is (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid is CC(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)-2-amino-3-methylbutanoic acid?
The InChIKey is WBIDGRFAZWGRQK-IPIKRLCPSA-N. The full InChI is InChI=1S/C9H11NO3.C5H11NO2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;1-3(2)4(6)5(7)8/h1-4,8,11H,5,10H2,(H,12,13);3-4H,6H2,1-2H3,(H,7,8)/t8-;4-/m00/s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid?
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid has a molecular weight of 298.34 g/mol, XLogP of 0.40, 5 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)-2-amino-3-methylbutanoic acid is sourced from PubChem (CID 67120739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).