3-[2-methoxypropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid

C15H23NO3 — CID 112754616

IUPAC3-[2-methoxypropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid
SMILESCOC(C)CN(C)CC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H23NO3/c1-12(19-4)10-16(3)11-15(2,14(17)18)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,17,18)
InChIKeyRPMYTFGAOBGAOZ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.00
Rot. Bonds7

About 3-[2-methoxypropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid

3-[2-methoxypropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid (PubChem CID 112754616) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[2-methoxypropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[2-methoxypropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid
PubChem CID112754616
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[2-methoxypropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid
SMILESCOC(C)CN(C)CC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H23NO3/c1-12(19-4)10-16(3)11-15(2,14(17)18)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,17,18)
InChIKeyRPMYTFGAOBGAOZ-UHFFFAOYSA-N
XLogP2.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanoic acid
CID 62270476
3-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid
CID 55055318
2-amino-3-[2-methoxypropyl(methyl)amino]-2-phenylpropan-1-ol
CID 112754686
3-[bis(2-methylpropyl)amino]-2-methyl-2-phenylpropanoic acid
CID 62270669
2-methyl-4-[methyl(2-methylpropyl)amino]-4-oxo-2-phenylbutanoic acid
CID 43437622
2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanoic acid
CID 62270659
2-[methyl(2-methylpropyl)amino]-2-phenylpropanoic acid
CID 114992186
2-methyl-4-[methyl(3-methylbutyl)amino]-4-oxo-2-phenylbutanoic acid
CID 60948204
(2R,4R)-2-methyl-2,4-diphenylpentanoic acid
CID 139765294
3-methoxy-2-methyl-2-phenylpentanoic acid
CID 175507222
3-bromo-2-methyl-2-phenylpropanoic acid
CID 131843257
methyl 2-methyl-2-phenylbutanoate
CID 562613

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxypropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid?
The IUPAC name of 3-[2-methoxypropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid (CID 112754616) is 3-[2-methoxypropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid.
What is the SMILES notation for 3-[2-methoxypropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid?
The canonical SMILES for 3-[2-methoxypropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid is COC(C)CN(C)CC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 3-[2-methoxypropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid?
The InChIKey is RPMYTFGAOBGAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12(19-4)10-16(3)11-15(2,14(17)18)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,17,18).
What are the key properties of 3-[2-methoxypropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid?
3-[2-methoxypropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxypropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid is sourced from PubChem (CID 112754616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).