3-(dimethylamino)-2-methyl-3-(4-propan-2-yloxyphenyl)propanoic acid

C15H23NO3 — CID 116908070

IUPAC3-(dimethylamino)-2-methyl-3-(4-propan-2-yloxyphenyl)propanoic acid
SMILESCC(C)Oc1ccc(C(C(C)C(=O)O)N(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-10(2)19-13-8-6-12(7-9-13)14(16(4)5)11(3)15(17)18/h6-11,14H,1-5H3,(H,17,18)
InChIKeyAVZIAQPURIIYNQ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.80
Rot. Bonds6

About 3-(dimethylamino)-2-methyl-3-(4-propan-2-yloxyphenyl)propanoic acid

3-(dimethylamino)-2-methyl-3-(4-propan-2-yloxyphenyl)propanoic acid (PubChem CID 116908070) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-(dimethylamino)-2-methyl-3-(4-propan-2-yloxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(dimethylamino)-2-methyl-3-(4-propan-2-yloxyphenyl)propanoic acid
PubChem CID116908070
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-(dimethylamino)-2-methyl-3-(4-propan-2-yloxyphenyl)propanoic acid
SMILESCC(C)Oc1ccc(C(C(C)C(=O)O)N(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-10(2)19-13-8-6-12(7-9-13)14(16(4)5)11(3)15(17)18/h6-11,14H,1-5H3,(H,17,18)
InChIKeyAVZIAQPURIIYNQ-UHFFFAOYSA-N
XLogP2.80
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-3-(dimethylamino)-2-methylpropanoic acid
CID 116908037
N,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 116914623
2-methyl-3-(4-propan-2-yloxyanilino)butanoic acid
CID 79391626
ethyl 2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 116914253
2-methyl-3-oxo-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 116918210
3-amino-N,N-dimethyl-3-(4-propan-2-yloxyphenyl)propanamide
CID 116850305
(2S,3R)-3-[4-(difluoromethoxy)phenyl]-3-hydroxy-2-methylpropanoic acid
CID 94426491
3-phenyl-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 2939109
2-(4-propan-2-yloxyphenyl)-2-(propylamino)acetic acid
CID 54932626
2-[1-(4-propan-2-yloxyphenyl)ethylamino]butanoic acid
CID 115352442
[1-[dimethylamino-(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanol
CID 116912161
2-[methyl-[2-(4-propan-2-yloxyphenyl)acetyl]amino]acetic acid
CID 98017762

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-methyl-3-(4-propan-2-yloxyphenyl)propanoic acid?
The IUPAC name of 3-(dimethylamino)-2-methyl-3-(4-propan-2-yloxyphenyl)propanoic acid (CID 116908070) is 3-(dimethylamino)-2-methyl-3-(4-propan-2-yloxyphenyl)propanoic acid.
What is the SMILES notation for 3-(dimethylamino)-2-methyl-3-(4-propan-2-yloxyphenyl)propanoic acid?
The canonical SMILES for 3-(dimethylamino)-2-methyl-3-(4-propan-2-yloxyphenyl)propanoic acid is CC(C)Oc1ccc(C(C(C)C(=O)O)N(C)C)cc1.
What is the InChIKey of 3-(dimethylamino)-2-methyl-3-(4-propan-2-yloxyphenyl)propanoic acid?
The InChIKey is AVZIAQPURIIYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10(2)19-13-8-6-12(7-9-13)14(16(4)5)11(3)15(17)18/h6-11,14H,1-5H3,(H,17,18).
What are the key properties of 3-(dimethylamino)-2-methyl-3-(4-propan-2-yloxyphenyl)propanoic acid?
3-(dimethylamino)-2-methyl-3-(4-propan-2-yloxyphenyl)propanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-methyl-3-(4-propan-2-yloxyphenyl)propanoic acid is sourced from PubChem (CID 116908070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).