(2R)-2-(diethylamino)-3-(2,4,6-trimethylphenyl)propanoic acid

C16H25NO2 — CID 100554282

IUPAC(2R)-2-(diethylamino)-3-(2,4,6-trimethylphenyl)propanoic acid
SMILESCCN(CC)[C@H](Cc1c(C)cc(C)cc1C)C(=O)O
InChIInChI=1S/C16H25NO2/c1-6-17(7-2)15(16(18)19)10-14-12(4)8-11(3)9-13(14)5/h8-9,15H,6-7,10H2,1-5H3,(H,18,19)/t15-/m1/s1
InChIKeyAZMRENRIDVHITI-OAHLLOKOSA-N
MW263.38 g/mol
LogP2.95
Rot. Bonds6

About (2R)-2-(diethylamino)-3-(2,4,6-trimethylphenyl)propanoic acid

(2R)-2-(diethylamino)-3-(2,4,6-trimethylphenyl)propanoic acid (PubChem CID 100554282) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (2R)-2-(diethylamino)-3-(2,4,6-trimethylphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(diethylamino)-3-(2,4,6-trimethylphenyl)propanoic acid
PubChem CID100554282
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(2R)-2-(diethylamino)-3-(2,4,6-trimethylphenyl)propanoic acid
SMILESCCN(CC)[C@H](Cc1c(C)cc(C)cc1C)C(=O)O
InChIInChI=1S/C16H25NO2/c1-6-17(7-2)15(16(18)19)10-14-12(4)8-11(3)9-13(14)5/h8-9,15H,6-7,10H2,1-5H3,(H,18,19)/t15-/m1/s1
InChIKeyAZMRENRIDVHITI-OAHLLOKOSA-N
XLogP2.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(diethylamino)-3-(3,5-dimethylphenyl)propanoic acid
CID 83969909
(2R)-2-(diethylamino)-3-(2-methylphenyl)propanoic acid
CID 98822926
2-(diethylamino)-3-(4-ethylphenyl)propanoic acid
CID 83969905
2,7-bis(diethylamino)octanedioic acid
CID 175151576
2,5-bis(diethylamino)hexanedioic acid
CID 175154471
2-[bis(2-methoxyethyl)amino]-3-(2,6-dimethoxy-4-methylphenyl)propanoic acid
CID 91394595
(2R)-2-(diethylamino)-3-(4-iodophenyl)propanoic acid
CID 100552636
(2R)-3-(4-chlorophenyl)-2-(diethylamino)propanoic acid
CID 98822956
(2S)-2-(2,4,6-trimethylanilino)-3-(2,4,6-trimethylphenyl)propanoic acid
CID 141280182
2-acetamido-3-(2,4,6-trimethylphenyl)propanoic acid
CID 54847012
(2S)-3-(4-chlorophenyl)-2-(diethylamino)propanoic acid
CID 98822955
2-(diethylamino)-3-(3-fluorophenyl)propanoic acid
CID 83969897

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(diethylamino)-3-(2,4,6-trimethylphenyl)propanoic acid?
The IUPAC name of (2R)-2-(diethylamino)-3-(2,4,6-trimethylphenyl)propanoic acid (CID 100554282) is (2R)-2-(diethylamino)-3-(2,4,6-trimethylphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(diethylamino)-3-(2,4,6-trimethylphenyl)propanoic acid?
The canonical SMILES for (2R)-2-(diethylamino)-3-(2,4,6-trimethylphenyl)propanoic acid is CCN(CC)[C@H](Cc1c(C)cc(C)cc1C)C(=O)O.
What is the InChIKey of (2R)-2-(diethylamino)-3-(2,4,6-trimethylphenyl)propanoic acid?
The InChIKey is AZMRENRIDVHITI-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-17(7-2)15(16(18)19)10-14-12(4)8-11(3)9-13(14)5/h8-9,15H,6-7,10H2,1-5H3,(H,18,19)/t15-/m1/s1.
What are the key properties of (2R)-2-(diethylamino)-3-(2,4,6-trimethylphenyl)propanoic acid?
(2R)-2-(diethylamino)-3-(2,4,6-trimethylphenyl)propanoic acid has a molecular weight of 263.38 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(diethylamino)-3-(2,4,6-trimethylphenyl)propanoic acid is sourced from PubChem (CID 100554282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).