2-(dimethylamino)-3-(3-methylphenyl)propanoic acid

C12H17NO2 — CID 59981449

IUPAC2-(dimethylamino)-3-(3-methylphenyl)propanoic acid
SMILESCc1cccc(CC(C(=O)O)N(C)C)c1
InChIInChI=1S/C12H17NO2/c1-9-5-4-6-10(7-9)8-11(12(14)15)13(2)3/h4-7,11H,8H2,1-3H3,(H,14,15)
InChIKeyGMYUGWCMVHPYRA-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.55
Rot. Bonds4

About 2-(dimethylamino)-3-(3-methylphenyl)propanoic acid

2-(dimethylamino)-3-(3-methylphenyl)propanoic acid (PubChem CID 59981449) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(dimethylamino)-3-(3-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(dimethylamino)-3-(3-methylphenyl)propanoic acid
PubChem CID59981449
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(dimethylamino)-3-(3-methylphenyl)propanoic acid
SMILESCc1cccc(CC(C(=O)O)N(C)C)c1
InChIInChI=1S/C12H17NO2/c1-9-5-4-6-10(7-9)8-11(12(14)15)13(2)3/h4-7,11H,8H2,1-3H3,(H,14,15)
InChIKeyGMYUGWCMVHPYRA-UHFFFAOYSA-N
XLogP1.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-(3-methylphenyl)-2-sulfanylpropanoic acid
CID 959252
2-ethoxy-3-(3-methylphenyl)propanoic acid
CID 84722685
2-[(3-methylphenyl)methyl]pentanedioic acid
CID 112511845
(4R)-2-[(3-methylphenyl)methyl]-4-[2-(4-propylphenyl)ethyl]pentanedioic acid
CID 70070826
2-[[[4-(dimethylcarbamoyl)benzoyl]amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 120526723
2-[methyl-[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 62626750
(2S)-3-(3-methylphenyl)-2-phenylsulfanylpropanoic acid
CID 100525281
(2S)-2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 25417717
fermium;3-(3-methylphenyl)-2-(oxomethylamino)propanoic acid
CID 166481750
2-[(3-methylphenyl)methyl]-3-(5-methyl-3-pyridinyl)propanoic acid
CID 102877599
(2S)-2-[(3,5-dimethylbenzoyl)-methylamino]-3-phenylpropanoic acid
CID 18663513
2-[2-(dimethylamino)pyrimidin-4-yl]-3-(3-methylphenyl)propanoic acid
CID 104572640

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-(3-methylphenyl)propanoic acid?
The IUPAC name of 2-(dimethylamino)-3-(3-methylphenyl)propanoic acid (CID 59981449) is 2-(dimethylamino)-3-(3-methylphenyl)propanoic acid.
What is the SMILES notation for 2-(dimethylamino)-3-(3-methylphenyl)propanoic acid?
The canonical SMILES for 2-(dimethylamino)-3-(3-methylphenyl)propanoic acid is Cc1cccc(CC(C(=O)O)N(C)C)c1.
What is the InChIKey of 2-(dimethylamino)-3-(3-methylphenyl)propanoic acid?
The InChIKey is GMYUGWCMVHPYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-5-4-6-10(7-9)8-11(12(14)15)13(2)3/h4-7,11H,8H2,1-3H3,(H,14,15).
What are the key properties of 2-(dimethylamino)-3-(3-methylphenyl)propanoic acid?
2-(dimethylamino)-3-(3-methylphenyl)propanoic acid has a molecular weight of 207.27 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-(3-methylphenyl)propanoic acid is sourced from PubChem (CID 59981449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).