(2R)-2-(diethylamino)-3-(2-methylphenyl)propanoic acid

C14H21NO2 — CID 98822926

IUPAC(2R)-2-(diethylamino)-3-(2-methylphenyl)propanoic acid
SMILESCCN(CC)[C@H](Cc1ccccc1C)C(=O)O
InChIInChI=1S/C14H21NO2/c1-4-15(5-2)13(14(16)17)10-12-9-7-6-8-11(12)3/h6-9,13H,4-5,10H2,1-3H3,(H,16,17)/t13-/m1/s1
InChIKeyIHUODCPUTIRIQR-CYBMUJFWSA-N
MW235.33 g/mol
LogP2.33
Rot. Bonds6

About (2R)-2-(diethylamino)-3-(2-methylphenyl)propanoic acid

(2R)-2-(diethylamino)-3-(2-methylphenyl)propanoic acid (PubChem CID 98822926) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2R)-2-(diethylamino)-3-(2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(diethylamino)-3-(2-methylphenyl)propanoic acid
PubChem CID98822926
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2R)-2-(diethylamino)-3-(2-methylphenyl)propanoic acid
SMILESCCN(CC)[C@H](Cc1ccccc1C)C(=O)O
InChIInChI=1S/C14H21NO2/c1-4-15(5-2)13(14(16)17)10-12-9-7-6-8-11(12)3/h6-9,13H,4-5,10H2,1-3H3,(H,16,17)/t13-/m1/s1
InChIKeyIHUODCPUTIRIQR-CYBMUJFWSA-N
XLogP2.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[ethyl-[(2-methylphenyl)methyl]amino]butanoic acid
CID 129401479
(2S)-2-(diethylamino)-3-(2-phenylsulfanylphenyl)propanoic acid
CID 100553982
(2R)-2-hydroxy-3-(2-methylphenyl)propanoic acid
CID 39237237
acetic acid;1-ethyl-2-methylbenzene
CID 67948051
(2R)-2-(diethylamino)-3-(2,4,6-trimethylphenyl)propanoic acid
CID 100554282
2-(diethylamino)-3-(4-ethylphenyl)propanoic acid
CID 83969905
2-(hydroxymethyl)-3-(2-methylphenyl)propanoic acid
CID 22418915
2-(diethylamino)-4-methyl-1-phenylpentan-3-one;ethane
CID 145053921
(2S)-2-(diethylamino)-3-(4-phenoxyphenyl)propanoic acid
CID 100553369
2-(diethylamino)-3-(3-fluorophenyl)propanoic acid
CID 83969897
2-(diethylamino)-3-(3,5-dimethylphenyl)propanoic acid
CID 83969909
(2R)-2-(diethylamino)-3-(4-iodophenyl)propanoic acid
CID 100552636

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(diethylamino)-3-(2-methylphenyl)propanoic acid?
The IUPAC name of (2R)-2-(diethylamino)-3-(2-methylphenyl)propanoic acid (CID 98822926) is (2R)-2-(diethylamino)-3-(2-methylphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(diethylamino)-3-(2-methylphenyl)propanoic acid?
The canonical SMILES for (2R)-2-(diethylamino)-3-(2-methylphenyl)propanoic acid is CCN(CC)[C@H](Cc1ccccc1C)C(=O)O.
What is the InChIKey of (2R)-2-(diethylamino)-3-(2-methylphenyl)propanoic acid?
The InChIKey is IHUODCPUTIRIQR-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-15(5-2)13(14(16)17)10-12-9-7-6-8-11(12)3/h6-9,13H,4-5,10H2,1-3H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (2R)-2-(diethylamino)-3-(2-methylphenyl)propanoic acid?
(2R)-2-(diethylamino)-3-(2-methylphenyl)propanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.33, 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-methylphenyl)propanoic acid is sourced from PubChem (CID 98822926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).