(2R)-2-amino-2-(3,5-dihydroxyphenyl)propanoic acid

C9H11NO4 — CID 55253702

IUPAC(2R)-2-amino-2-(3,5-dihydroxyphenyl)propanoic acid
SMILESC[C@](N)(C(=O)O)c1cc(O)cc(O)c1
InChIInChI=1S/C9H11NO4/c1-9(10,8(13)14)5-2-6(11)4-7(12)3-5/h2-4,11-12H,10H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyVKQQTNRVLRSIFR-SECBINFHSA-N
MW197.19 g/mol
LogP0.36
Rot. Bonds2

About (2R)-2-amino-2-(3,5-dihydroxyphenyl)propanoic acid

(2R)-2-amino-2-(3,5-dihydroxyphenyl)propanoic acid (PubChem CID 55253702) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is (2R)-2-amino-2-(3,5-dihydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(3,5-dihydroxyphenyl)propanoic acid
PubChem CID55253702
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name(2R)-2-amino-2-(3,5-dihydroxyphenyl)propanoic acid
SMILESC[C@](N)(C(=O)O)c1cc(O)cc(O)c1
InChIInChI=1S/C9H11NO4/c1-9(10,8(13)14)5-2-6(11)4-7(12)3-5/h2-4,11-12H,10H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyVKQQTNRVLRSIFR-SECBINFHSA-N
XLogP0.36
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-2-(3,5-difluorophenyl)propanoic acid
CID 91290117
(2R)-2-amino-2-(3-fluoro-5-methylphenyl)propanoic acid
CID 130657350
(2S)-2-amino-2-(3-bromo-5-methylphenyl)propanoic acid
CID 130618665
2-amino-2-(3,4-dimethylphenyl)propanoic acid
CID 24711823
2-(3,5-dihydroxyphenyl)-2-(methylamino)propanoic acid
CID 107707477
2-amino-2-(3-fluoro-4-hydroxyphenyl)propanoic acid
CID 55272926
(2R)-2-amino-2-pyren-2-ylpropanoic acid
CID 100968377
2-amino-2-(5-methylthiophen-3-yl)propanoic acid
CID 55271187
(2S)-2-amino-2-(2,4-dihydroxyphenyl)propanoic acid
CID 130650508
(2R)-2-amino-2-(2-amino-5-hydroxyphenyl)propanoic acid
CID 130783771
(2S)-2-amino-2-(3,4-dichlorophenyl)propanoic acid;hydrochloride
CID 68715954
acetic acid;benzene-1,3,5-triol
CID 53443381

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3,5-dihydroxyphenyl)propanoic acid?
The IUPAC name of (2R)-2-amino-2-(3,5-dihydroxyphenyl)propanoic acid (CID 55253702) is (2R)-2-amino-2-(3,5-dihydroxyphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-2-(3,5-dihydroxyphenyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-2-(3,5-dihydroxyphenyl)propanoic acid is C[C@](N)(C(=O)O)c1cc(O)cc(O)c1.
What is the InChIKey of (2R)-2-amino-2-(3,5-dihydroxyphenyl)propanoic acid?
The InChIKey is VKQQTNRVLRSIFR-SECBINFHSA-N. The full InChI is InChI=1S/C9H11NO4/c1-9(10,8(13)14)5-2-6(11)4-7(12)3-5/h2-4,11-12H,10H2,1H3,(H,13,14)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-2-(3,5-dihydroxyphenyl)propanoic acid?
(2R)-2-amino-2-(3,5-dihydroxyphenyl)propanoic acid has a molecular weight of 197.19 g/mol, XLogP of 0.36, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(3,5-dihydroxyphenyl)propanoic acid is sourced from PubChem (CID 55253702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).