(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane

C9H14N2O3 — CID 87217970

IUPAC(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane
SMILESN.N[C@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C9H11NO3.H3N/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;/h1-4,8,11H,5,10H2,(H,12,13);1H3/t8-;/m1./s1
InChIKeyIHEHMBYPHSNAJH-DDWIOCJRSA-N
MW198.22 g/mol
LogP0.51
Rot. Bonds3

About (2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane

(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane (PubChem CID 87217970) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane
PubChem CID87217970
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane
SMILESN.N[C@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C9H11NO3.H3N/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;/h1-4,8,11H,5,10H2,(H,12,13);1H3/t8-;/m1./s1
InChIKeyIHEHMBYPHSNAJH-DDWIOCJRSA-N
XLogP0.51
TPSA118.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane
CID 161476497
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 (2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane?
The IUPAC name of (2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane (CID 87217970) is (2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane.
What is the SMILES notation for (2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane?
The canonical SMILES for (2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane is N.N[C@H](Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane?
The InChIKey is IHEHMBYPHSNAJH-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H11NO3.H3N/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;/h1-4,8,11H,5,10H2,(H,12,13);1H3/t8-;/m1./s1.
What are the key properties of (2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane?
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane has a molecular weight of 198.22 g/mol, XLogP of 0.51, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane is sourced from PubChem (CID 87217970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).