2,2-dimethyl-3-(methylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid

C15H23NO3 — CID 116953225

IUPAC2,2-dimethyl-3-(methylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid
SMILESCNC(c1ccc(OC(C)C)cc1)C(C)(C)C(=O)O
InChIInChI=1S/C15H23NO3/c1-10(2)19-12-8-6-11(7-9-12)13(16-5)15(3,4)14(17)18/h6-10,13,16H,1-5H3,(H,17,18)
InChIKeyBSCIYBPFNBRSMZ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.85
Rot. Bonds6

About 2,2-dimethyl-3-(methylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid

2,2-dimethyl-3-(methylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid (PubChem CID 116953225) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-(methylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(methylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid
PubChem CID116953225
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2,2-dimethyl-3-(methylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid
SMILESCNC(c1ccc(OC(C)C)cc1)C(C)(C)C(=O)O
InChIInChI=1S/C15H23NO3/c1-10(2)19-12-8-6-11(7-9-12)13(16-5)15(3,4)14(17)18/h6-10,13,16H,1-5H3,(H,17,18)
InChIKeyBSCIYBPFNBRSMZ-UHFFFAOYSA-N
XLogP2.85
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-N-diethyl-1-N,2-dimethyl-1-(4-propan-2-yloxyphenyl)propane-1,2-diamine
CID 79047766
2,2-difluoro-3-hydroxy-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 62397060
methyl 2-(methylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 54932725
(1R)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 30049099
2-hydroxy-2-methyl-3-(4-propan-2-yloxyanilino)propanoic acid
CID 104643867
2-amino-2-(4-propan-2-yloxyphenyl)propanoic acid
CID 24692906
methyl 4-(methylamino)-4-(4-propan-2-yloxyphenyl)butanoate
CID 116955534
3-hydroxy-2,2-dimethyl-3-(4-propan-2-yloxyphenyl)butanoic acid
CID 55071473
3-amino-4-(methylamino)-4-(4-propan-2-yloxyphenyl)butanoic acid
CID 116957906
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-propan-2-yloxyphenyl)acetic acid
CID 69144874
2-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 115127961
2-amino-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 61264808

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(methylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(methylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid (CID 116953225) is 2,2-dimethyl-3-(methylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(methylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(methylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid is CNC(c1ccc(OC(C)C)cc1)C(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(methylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid?
The InChIKey is BSCIYBPFNBRSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10(2)19-12-8-6-11(7-9-12)13(16-5)15(3,4)14(17)18/h6-10,13,16H,1-5H3,(H,17,18).
What are the key properties of 2,2-dimethyl-3-(methylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid?
2,2-dimethyl-3-(methylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(methylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid is sourced from PubChem (CID 116953225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).