(2S)-2-amino-2-(dimethylamino)-3-phenylpropanoic acid

C11H16N2O2 — CID 118963176

IUPAC(2S)-2-amino-2-(dimethylamino)-3-phenylpropanoic acid
SMILESCN(C)[C@@](N)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H16N2O2/c1-13(2)11(12,10(14)15)8-9-6-4-3-5-7-9/h3-7H,8,12H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyBRDCIAMGYKMAQF-NSHDSACASA-N
MW208.26 g/mol
LogP0.53
Rot. Bonds4

About (2S)-2-amino-2-(dimethylamino)-3-phenylpropanoic acid

(2S)-2-amino-2-(dimethylamino)-3-phenylpropanoic acid (PubChem CID 118963176) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2S)-2-amino-2-(dimethylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(dimethylamino)-3-phenylpropanoic acid
PubChem CID118963176
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(2S)-2-amino-2-(dimethylamino)-3-phenylpropanoic acid
SMILESCN(C)[C@@](N)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H16N2O2/c1-13(2)11(12,10(14)15)8-9-6-4-3-5-7-9/h3-7H,8,12H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyBRDCIAMGYKMAQF-NSHDSACASA-N
XLogP0.53
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-2-(dimethylamino)-3-phenylpropanoic acid
CID 43803058
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
(2R)-2-amino-2-fluoro-3-phenylpropanoic acid
CID 54456970
(2R)-2-amino-2-chloro-3-phenylpropanoic acid
CID 21116120
azane;ethyl 2-(dimethylamino)-2-methyl-3-phenylpropanoate;hydroiodide
CID 174880541
(2R)-2-amino-2-(aminomethyl)-3-phenylpropanoic acid
CID 91046027
2-N',2-N'-dimethyl-3-phenylpropane-1,2,2-triamine
CID 135203392
(2R)-2-(diaminoamino)-2-hydroxy-3-phenylpropanoic acid
CID 66992934
(2R)-2,3-diamino-2-benzyl-3-oxopropanoic acid
CID 62705603
2-amino-2-benzylpentanoic acid
CID 24974249
2-benzyl-2-(dimethylamino)-1,3-diphenylpropan-1-one
CID 19049414
(2R)-2-amino-2,4,4-trimethyl-1-phenylpentan-3-one
CID 177194439

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(dimethylamino)-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-amino-2-(dimethylamino)-3-phenylpropanoic acid (CID 118963176) is (2S)-2-amino-2-(dimethylamino)-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-amino-2-(dimethylamino)-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-amino-2-(dimethylamino)-3-phenylpropanoic acid is CN(C)[C@@](N)(Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-2-(dimethylamino)-3-phenylpropanoic acid?
The InChIKey is BRDCIAMGYKMAQF-NSHDSACASA-N. The full InChI is InChI=1S/C11H16N2O2/c1-13(2)11(12,10(14)15)8-9-6-4-3-5-7-9/h3-7H,8,12H2,1-2H3,(H,14,15)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-2-(dimethylamino)-3-phenylpropanoic acid?
(2S)-2-amino-2-(dimethylamino)-3-phenylpropanoic acid has a molecular weight of 208.26 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(dimethylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 118963176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).