2-amino-3-[3-(diethylamino)phenyl]propanoic acid

C13H20N2O2 — CID 22603383

IUPAC2-amino-3-[3-(diethylamino)phenyl]propanoic acid
SMILESCCN(CC)c1cccc(CC(N)C(=O)O)c1
InChIInChI=1S/C13H20N2O2/c1-3-15(4-2)11-7-5-6-10(8-11)9-12(14)13(16)17/h5-8,12H,3-4,9,14H2,1-2H3,(H,16,17)
InChIKeyNDFHBVDGXRXVKG-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.49
Rot. Bonds6

About 2-amino-3-[3-(diethylamino)phenyl]propanoic acid

2-amino-3-[3-(diethylamino)phenyl]propanoic acid (PubChem CID 22603383) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-3-[3-(diethylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[3-(diethylamino)phenyl]propanoic acid
PubChem CID22603383
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-3-[3-(diethylamino)phenyl]propanoic acid
SMILESCCN(CC)c1cccc(CC(N)C(=O)O)c1
InChIInChI=1S/C13H20N2O2/c1-3-15(4-2)11-7-5-6-10(8-11)9-12(14)13(16)17/h5-8,12H,3-4,9,14H2,1-2H3,(H,16,17)
InChIKeyNDFHBVDGXRXVKG-UHFFFAOYSA-N
XLogP1.49
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-[3-(dimethylamino)phenyl]propanoic acid;dihydrochloride
CID 22950701
2-amino-3-[4-(diethylamino)phenyl]propanoic acid;dihydrochloride
CID 18314886
2-amino-3-[4-[benzyl(ethyl)amino]phenyl]propanoic acid
CID 170880297
2-amino-3-[4-(diethylamino)-2-methylphenyl]propanoic acid
CID 170880204
(2R)-3-(3-acetylphenyl)-2-aminopropanoic acid
CID 150517437
(2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid
CID 67059715
(2S)-2-amino-3-phenylpropanoic acid;ethanol
CID 129063061
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
(2S)-2-amino-3-(3-aminophenyl)propanoic acid;dihydrochloride
CID 118989386
(2R)-2-amino-3-(3-aminophenyl)propanoic acid;dihydrochloride
CID 168719794
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-(diethylamino)phenyl]propanoic acid?
The IUPAC name of 2-amino-3-[3-(diethylamino)phenyl]propanoic acid (CID 22603383) is 2-amino-3-[3-(diethylamino)phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[3-(diethylamino)phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[3-(diethylamino)phenyl]propanoic acid is CCN(CC)c1cccc(CC(N)C(=O)O)c1.
What is the InChIKey of 2-amino-3-[3-(diethylamino)phenyl]propanoic acid?
The InChIKey is NDFHBVDGXRXVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-15(4-2)11-7-5-6-10(8-11)9-12(14)13(16)17/h5-8,12H,3-4,9,14H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-3-[3-(diethylamino)phenyl]propanoic acid?
2-amino-3-[3-(diethylamino)phenyl]propanoic acid has a molecular weight of 236.31 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-(diethylamino)phenyl]propanoic acid is sourced from PubChem (CID 22603383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).