(2R)-2-amino-2-(2-amino-5-hydroxyphenyl)propanoic acid

C9H12N2O3 — CID 130783771

IUPAC(2R)-2-amino-2-(2-amino-5-hydroxyphenyl)propanoic acid
SMILESC[C@](N)(C(=O)O)c1cc(O)ccc1N
InChIInChI=1S/C9H12N2O3/c1-9(11,8(13)14)6-4-5(12)2-3-7(6)10/h2-4,12H,10-11H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyDCOPVUWKKZOQDL-SECBINFHSA-N
MW196.21 g/mol
LogP0.23
Rot. Bonds2

About (2R)-2-amino-2-(2-amino-5-hydroxyphenyl)propanoic acid

(2R)-2-amino-2-(2-amino-5-hydroxyphenyl)propanoic acid (PubChem CID 130783771) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is (2R)-2-amino-2-(2-amino-5-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(2-amino-5-hydroxyphenyl)propanoic acid
PubChem CID130783771
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name(2R)-2-amino-2-(2-amino-5-hydroxyphenyl)propanoic acid
SMILESC[C@](N)(C(=O)O)c1cc(O)ccc1N
InChIInChI=1S/C9H12N2O3/c1-9(11,8(13)14)6-4-5(12)2-3-7(6)10/h2-4,12H,10-11H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyDCOPVUWKKZOQDL-SECBINFHSA-N
XLogP0.23
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-2-(2,4-dihydroxyphenyl)propanoic acid
CID 130650508
(2R)-2-amino-2-(3,5-dihydroxyphenyl)propanoic acid
CID 55253702
2-amino-2-(2,5-dimethylphenyl)propanoic acid
CID 24695518
(2R)-2-amino-2-(4-amino-2-fluorophenyl)propanoic acid
CID 130648656
2-amino-2-(2,4-dimethylphenyl)propanoic acid;hydrochloride
CID 82128471
(2S)-2-amino-2-(2-fluoro-5-methylphenyl)propanoic acid
CID 130985670
(2S)-2-amino-2-(4-bromo-2-methylphenyl)propanoic acid
CID 130641100
tert-butyl 2-amino-5-hydroxybenzoate
CID 61405747
4-amino-3-[(1S)-1-amino-2,2-dimethylpropyl]phenol
CID 130613633
(2-amino-5-hydroxyphenyl)-[tert-butyl(dimethyl)silyl]methanone
CID 140712461
(2S)-2-amino-3-(4-amino-3-hydroxyphenyl)-2-methylpropanoic acid
CID 57311138
2-amino-2-(4-methyl-3-pyridinyl)propanoic acid
CID 55292841

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2-amino-5-hydroxyphenyl)propanoic acid?
The IUPAC name of (2R)-2-amino-2-(2-amino-5-hydroxyphenyl)propanoic acid (CID 130783771) is (2R)-2-amino-2-(2-amino-5-hydroxyphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-2-(2-amino-5-hydroxyphenyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-2-(2-amino-5-hydroxyphenyl)propanoic acid is C[C@](N)(C(=O)O)c1cc(O)ccc1N.
What is the InChIKey of (2R)-2-amino-2-(2-amino-5-hydroxyphenyl)propanoic acid?
The InChIKey is DCOPVUWKKZOQDL-SECBINFHSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-9(11,8(13)14)6-4-5(12)2-3-7(6)10/h2-4,12H,10-11H2,1H3,(H,13,14)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-2-(2-amino-5-hydroxyphenyl)propanoic acid?
(2R)-2-amino-2-(2-amino-5-hydroxyphenyl)propanoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.23, 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-(2-amino-5-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 130783771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).