(2R)-2-amino-3-(3,4-diaminophenyl)-2-methylpropanoic acid

C10H15N3O2 — CID 70564391

IUPAC(2R)-2-amino-3-(3,4-diaminophenyl)-2-methylpropanoic acid
SMILESC[C@@](N)(Cc1ccc(N)c(N)c1)C(=O)O
InChIInChI=1S/C10H15N3O2/c1-10(13,9(14)15)5-6-2-3-7(11)8(12)4-6/h2-4H,5,11-13H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyVMJNKKGRZQIKPC-SNVBAGLBSA-N
MW209.25 g/mol
LogP0.20
Rot. Bonds3

About (2R)-2-amino-3-(3,4-diaminophenyl)-2-methylpropanoic acid

(2R)-2-amino-3-(3,4-diaminophenyl)-2-methylpropanoic acid (PubChem CID 70564391) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is (2R)-2-amino-3-(3,4-diaminophenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(3,4-diaminophenyl)-2-methylpropanoic acid
PubChem CID70564391
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name(2R)-2-amino-3-(3,4-diaminophenyl)-2-methylpropanoic acid
SMILESC[C@@](N)(Cc1ccc(N)c(N)c1)C(=O)O
InChIInChI=1S/C10H15N3O2/c1-10(13,9(14)15)5-6-2-3-7(11)8(12)4-6/h2-4H,5,11-13H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyVMJNKKGRZQIKPC-SNVBAGLBSA-N
XLogP0.20
TPSA115.36 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-(4-amino-3-hydroxyphenyl)-2-methylpropanoic acid
CID 57311138
(2S)-2-amino-3-(3-amino-4-oxoboranylphenyl)-2-methylpropanoic acid
CID 175991443
2-amino-3-(4-hydroxy-3-(123I)iodophenyl)-2-methylpropanoic acid
CID 131886176
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
[5-(2-amino-2-carboxypropyl)-2-hydroxyphenyl](211At)astatine-211
CID 155761208
2-amino-3-(3-(18F)fluoro-4-hydroxyphenyl)-2-methylpropanoic acid
CID 176816292
2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 3831656
2-amino-2-methyl-3-(4-sulfanylphenyl)propanoic acid
CID 123948298
(2S)-2-amino-2-methyl-3-(2-oxobenzimidazol-5-yl)propanoic acid
CID 22799512
(2S)-2-amino-3-(3-borono-4-hydroxyphenyl)-2-methylpropanoic acid
CID 170692621
2-amino-3-(3-hydroxyphenyl)-2-methylpropanoic acid;hydrate
CID 2729001
5-[(2S)-2-amino-2-carboxypropyl]-2-hydroxybenzoic acid;dihydrate;hydrochloride
CID 70604204

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(3,4-diaminophenyl)-2-methylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-(3,4-diaminophenyl)-2-methylpropanoic acid (CID 70564391) is (2R)-2-amino-3-(3,4-diaminophenyl)-2-methylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(3,4-diaminophenyl)-2-methylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-(3,4-diaminophenyl)-2-methylpropanoic acid is C[C@@](N)(Cc1ccc(N)c(N)c1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(3,4-diaminophenyl)-2-methylpropanoic acid?
The InChIKey is VMJNKKGRZQIKPC-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-10(13,9(14)15)5-6-2-3-7(11)8(12)4-6/h2-4H,5,11-13H2,1H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-3-(3,4-diaminophenyl)-2-methylpropanoic acid?
(2R)-2-amino-3-(3,4-diaminophenyl)-2-methylpropanoic acid has a molecular weight of 209.25 g/mol, XLogP of 0.20, 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-(3,4-diaminophenyl)-2-methylpropanoic acid is sourced from PubChem (CID 70564391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).