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

C9H13NO3S — CID 161476497

IUPAC(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)O.S
InChIInChI=1S/C9H11NO3.H2S/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;/h1-4,8,11H,5,10H2,(H,12,13);1H2/t8-;/m0./s1
InChIKeyWDTZIAFJEBGASY-QRPNPIFTSA-N
MW215.27 g/mol
LogP0.46
Rot. Bonds3

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

(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane (PubChem CID 161476497) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane
PubChem CID161476497
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)O.S
InChIInChI=1S/C9H11NO3.H2S/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;/h1-4,8,11H,5,10H2,(H,12,13);1H2/t8-;/m0./s1
InChIKeyWDTZIAFJEBGASY-QRPNPIFTSA-N
XLogP0.46
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(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
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrazine
CID 22117080
L-Tyrosine (disodium)
CID 66602062
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane
CID 87217970
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 66692874
2-amino-3-(4-hydroxyphenyl)propanoic acid;urea
CID 18402054
disodium;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 170924153
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride
CID 70404893
2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-hydroxypropanoic acid
CID 22500201
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;arsoric acid
CID 87073128

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane?
The IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane (CID 161476497) is (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane is N[C@@H](Cc1ccc(O)cc1)C(=O)O.S.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane?
The InChIKey is WDTZIAFJEBGASY-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H11NO3.H2S/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;/h1-4,8,11H,5,10H2,(H,12,13);1H2/t8-;/m0./s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane?
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane has a molecular weight of 215.27 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane is sourced from PubChem (CID 161476497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).