(3R)-3-[4-(dimethylamino)phenyl]-3-hydroxypropanoic acid

C11H15NO3 — CID 95440369

IUPAC(3R)-3-[4-(dimethylamino)phenyl]-3-hydroxypropanoic acid
SMILESCN(C)c1ccc([C@H](O)CC(=O)O)cc1
InChIInChI=1S/C11H15NO3/c1-12(2)9-5-3-8(4-6-9)10(13)7-11(14)15/h3-6,10,13H,7H2,1-2H3,(H,14,15)/t10-/m1/s1
InChIKeyJFVIWHDBVCXMQU-SNVBAGLBSA-N
MW209.25 g/mol
LogP1.26
Rot. Bonds4

About (3R)-3-[4-(dimethylamino)phenyl]-3-hydroxypropanoic acid

(3R)-3-[4-(dimethylamino)phenyl]-3-hydroxypropanoic acid (PubChem CID 95440369) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is (3R)-3-[4-(dimethylamino)phenyl]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(3R)-3-[4-(dimethylamino)phenyl]-3-hydroxypropanoic acid
PubChem CID95440369
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name(3R)-3-[4-(dimethylamino)phenyl]-3-hydroxypropanoic acid
SMILESCN(C)c1ccc([C@H](O)CC(=O)O)cc1
InChIInChI=1S/C11H15NO3/c1-12(2)9-5-3-8(4-6-9)10(13)7-11(14)15/h3-6,10,13H,7H2,1-2H3,(H,14,15)/t10-/m1/s1
InChIKeyJFVIWHDBVCXMQU-SNVBAGLBSA-N
XLogP1.26
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-[4-(dimethylamino)phenyl]-4-hydroxybutanoic acid
CID 82349136
2-[[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]amino]acetic acid
CID 82315419
(3S)-3-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid
CID 94425342
3-amino-4-[4-(dimethylamino)phenyl]-4-sulfanylbutanoic acid
CID 57305645
3-(4-bromophenyl)-3-hydroxypropanoic acid
CID 11579638
(3R)-3-(4-fluorophenyl)-3-hydroxypropanoic acid
CID 89304540
2-(dimethylamino)-1-[4-(dimethylamino)phenyl]ethanol
CID 24975028
(3S)-3-(4-acetamidophenyl)-3-hydroxypropanoic acid
CID 95997401
3-[4-(dimethylamino)phenyl]-3-pyrrolidin-1-ylpropanoic acid
CID 82133328
3-(4-cyanophenyl)-3-hydroxypropanoic acid
CID 89195276
1-[4-(dimethylamino)phenyl]-2-isocyanoethanol
CID 3911406
1-[4-(dimethylamino)phenyl]-3-ethylpentan-1-ol
CID 82927874

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(dimethylamino)phenyl]-3-hydroxypropanoic acid?
The IUPAC name of (3R)-3-[4-(dimethylamino)phenyl]-3-hydroxypropanoic acid (CID 95440369) is (3R)-3-[4-(dimethylamino)phenyl]-3-hydroxypropanoic acid.
What is the SMILES notation for (3R)-3-[4-(dimethylamino)phenyl]-3-hydroxypropanoic acid?
The canonical SMILES for (3R)-3-[4-(dimethylamino)phenyl]-3-hydroxypropanoic acid is CN(C)c1ccc([C@H](O)CC(=O)O)cc1.
What is the InChIKey of (3R)-3-[4-(dimethylamino)phenyl]-3-hydroxypropanoic acid?
The InChIKey is JFVIWHDBVCXMQU-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15NO3/c1-12(2)9-5-3-8(4-6-9)10(13)7-11(14)15/h3-6,10,13H,7H2,1-2H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (3R)-3-[4-(dimethylamino)phenyl]-3-hydroxypropanoic acid?
(3R)-3-[4-(dimethylamino)phenyl]-3-hydroxypropanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(dimethylamino)phenyl]-3-hydroxypropanoic acid is sourced from PubChem (CID 95440369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).