(2S)-2-amino-3-(4-amino-3-hydroxyphenyl)-2-methylpropanoic acid

C10H14N2O3 — CID 57311138

IUPAC(2S)-2-amino-3-(4-amino-3-hydroxyphenyl)-2-methylpropanoic acid
SMILESC[C@](N)(Cc1ccc(N)c(O)c1)C(=O)O
InChIInChI=1S/C10H14N2O3/c1-10(12,9(14)15)5-6-2-3-7(11)8(13)4-6/h2-4,13H,5,11-12H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyMGIPBZFUGYPMQG-JTQLQIEISA-N
MW210.23 g/mol
LogP0.32
Rot. Bonds3

About (2S)-2-amino-3-(4-amino-3-hydroxyphenyl)-2-methylpropanoic acid

(2S)-2-amino-3-(4-amino-3-hydroxyphenyl)-2-methylpropanoic acid (PubChem CID 57311138) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-amino-3-hydroxyphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-amino-3-hydroxyphenyl)-2-methylpropanoic acid
PubChem CID57311138
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name(2S)-2-amino-3-(4-amino-3-hydroxyphenyl)-2-methylpropanoic acid
SMILESC[C@](N)(Cc1ccc(N)c(O)c1)C(=O)O
InChIInChI=1S/C10H14N2O3/c1-10(12,9(14)15)5-6-2-3-7(11)8(13)4-6/h2-4,13H,5,11-12H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyMGIPBZFUGYPMQG-JTQLQIEISA-N
XLogP0.32
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-amino-3-hydroxyphenyl)-2-methylpropanoic acid?
The IUPAC name of (2S)-2-amino-3-(4-amino-3-hydroxyphenyl)-2-methylpropanoic acid (CID 57311138) is (2S)-2-amino-3-(4-amino-3-hydroxyphenyl)-2-methylpropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(4-amino-3-hydroxyphenyl)-2-methylpropanoic acid?
The canonical SMILES for (2S)-2-amino-3-(4-amino-3-hydroxyphenyl)-2-methylpropanoic acid is C[C@](N)(Cc1ccc(N)c(O)c1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(4-amino-3-hydroxyphenyl)-2-methylpropanoic acid?
The InChIKey is MGIPBZFUGYPMQG-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14N2O3/c1-10(12,9(14)15)5-6-2-3-7(11)8(13)4-6/h2-4,13H,5,11-12H2,1H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-amino-3-hydroxyphenyl)-2-methylpropanoic acid?
(2S)-2-amino-3-(4-amino-3-hydroxyphenyl)-2-methylpropanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.32, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-amino-3-hydroxyphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 57311138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).