3-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-3-(methylamino)propanoic acid

C15H23NO3 — CID 116953316

IUPAC3-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-3-(methylamino)propanoic acid
SMILESCNC(c1ccc(OC)c(C(C)C)c1)C(C)C(=O)O
InChIInChI=1S/C15H23NO3/c1-9(2)12-8-11(6-7-13(12)19-5)14(16-4)10(3)15(17)18/h6-10,14,16H,1-5H3,(H,17,18)
InChIKeyYZWRGHKWXAWTOP-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.80
Rot. Bonds6

About 3-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-3-(methylamino)propanoic acid

3-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-3-(methylamino)propanoic acid (PubChem CID 116953316) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-3-(methylamino)propanoic acid.

Molecular Properties

Compound Name3-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-3-(methylamino)propanoic acid
PubChem CID116953316
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-3-(methylamino)propanoic acid
SMILESCNC(c1ccc(OC)c(C(C)C)c1)C(C)C(=O)O
InChIInChI=1S/C15H23NO3/c1-9(2)12-8-11(6-7-13(12)19-5)14(16-4)10(3)15(17)18/h6-10,14,16H,1-5H3,(H,17,18)
InChIKeyYZWRGHKWXAWTOP-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-4-methoxyphenyl)-2-methyl-3-(methylamino)propanoic acid
CID 116953305
3-(2-methoxyphenyl)-2-methyl-3-(methylamino)propanoic acid
CID 116953394
3-amino-1-(4-methoxy-3-propan-2-ylphenyl)-1-(methylamino)propan-2-ol
CID 116957636
3-(4-methoxy-3-propan-2-ylphenyl)-3-(methylamino)propanoic acid
CID 112518828
(4-methoxy-3-propan-2-ylphenyl)-(methylamino)methanol
CID 116954636
3-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanoic acid
CID 116953323
1-chloro-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylmethanamine
CID 116962055
2-[(4-methoxy-3-propan-2-ylphenyl)-(methylamino)methyl]butanenitrile
CID 116960530
3-(2-methoxyphenyl)-2,3-bis(methylamino)propanoic acid
CID 116961127
(2-methoxy-5-propan-2-ylphenyl)-(methylamino)methanol
CID 116954637
4-amino-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutanoic acid
CID 116938153
2-bromo-1-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 116863189

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-3-(methylamino)propanoic acid?
The IUPAC name of 3-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-3-(methylamino)propanoic acid (CID 116953316) is 3-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-3-(methylamino)propanoic acid.
What is the SMILES notation for 3-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-3-(methylamino)propanoic acid?
The canonical SMILES for 3-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-3-(methylamino)propanoic acid is CNC(c1ccc(OC)c(C(C)C)c1)C(C)C(=O)O.
What is the InChIKey of 3-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-3-(methylamino)propanoic acid?
The InChIKey is YZWRGHKWXAWTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-9(2)12-8-11(6-7-13(12)19-5)14(16-4)10(3)15(17)18/h6-10,14,16H,1-5H3,(H,17,18).
What are the key properties of 3-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-3-(methylamino)propanoic acid?
3-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-3-(methylamino)propanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-3-(methylamino)propanoic acid is sourced from PubChem (CID 116953316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).