2-(methylamino)-4-(3-methyl-4-propan-2-ylphenoxy)butanoic acid

C15H23NO3 — CID 63040113

IUPAC2-(methylamino)-4-(3-methyl-4-propan-2-ylphenoxy)butanoic acid
SMILESCNC(CCOc1ccc(C(C)C)c(C)c1)C(=O)O
InChIInChI=1S/C15H23NO3/c1-10(2)13-6-5-12(9-11(13)3)19-8-7-14(16-4)15(17)18/h5-6,9-10,14,16H,7-8H2,1-4H3,(H,17,18)
InChIKeyCZUIZCLJQAEFTD-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.56
Rot. Bonds7

About 2-(methylamino)-4-(3-methyl-4-propan-2-ylphenoxy)butanoic acid

2-(methylamino)-4-(3-methyl-4-propan-2-ylphenoxy)butanoic acid (PubChem CID 63040113) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(methylamino)-4-(3-methyl-4-propan-2-ylphenoxy)butanoic acid.

Molecular Properties

Compound Name2-(methylamino)-4-(3-methyl-4-propan-2-ylphenoxy)butanoic acid
PubChem CID63040113
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(methylamino)-4-(3-methyl-4-propan-2-ylphenoxy)butanoic acid
SMILESCNC(CCOc1ccc(C(C)C)c(C)c1)C(=O)O
InChIInChI=1S/C15H23NO3/c1-10(2)13-6-5-12(9-11(13)3)19-8-7-14(16-4)15(17)18/h5-6,9-10,14,16H,7-8H2,1-4H3,(H,17,18)
InChIKeyCZUIZCLJQAEFTD-UHFFFAOYSA-N
XLogP2.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-4-(4-propan-2-ylphenoxy)butanoic acid
CID 63038968
3-(3-methyl-4-propan-2-ylphenoxy)propanoic acid
CID 16773331
2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propanoic acid
CID 43537580
(2S,3S)-3-methyl-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethylamino]pentanoic acid
CID 122099927
N'-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]ethane-1,2-diamine;oxalic acid
CID 2922383
2-[4-(3-methyl-4-propan-2-ylphenoxy)butanoylamino]-3-phenylpropanoic acid
CID 53263998
3-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propanoic acid
CID 60987347
4-(3-fluorophenoxy)-2-(methylamino)butanoic acid
CID 63040093
3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol
CID 43509991
N-[3-(3-methyl-4-propan-2-ylphenoxy)propoxy]acetamide
CID 11821525
4-(3-fluoro-4-methylphenoxy)-2-(methylamino)butanamide
CID 107170389
N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]butan-1-amine;oxalic acid
CID 2924198

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-(3-methyl-4-propan-2-ylphenoxy)butanoic acid?
The IUPAC name of 2-(methylamino)-4-(3-methyl-4-propan-2-ylphenoxy)butanoic acid (CID 63040113) is 2-(methylamino)-4-(3-methyl-4-propan-2-ylphenoxy)butanoic acid.
What is the SMILES notation for 2-(methylamino)-4-(3-methyl-4-propan-2-ylphenoxy)butanoic acid?
The canonical SMILES for 2-(methylamino)-4-(3-methyl-4-propan-2-ylphenoxy)butanoic acid is CNC(CCOc1ccc(C(C)C)c(C)c1)C(=O)O.
What is the InChIKey of 2-(methylamino)-4-(3-methyl-4-propan-2-ylphenoxy)butanoic acid?
The InChIKey is CZUIZCLJQAEFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10(2)13-6-5-12(9-11(13)3)19-8-7-14(16-4)15(17)18/h5-6,9-10,14,16H,7-8H2,1-4H3,(H,17,18).
What are the key properties of 2-(methylamino)-4-(3-methyl-4-propan-2-ylphenoxy)butanoic acid?
2-(methylamino)-4-(3-methyl-4-propan-2-ylphenoxy)butanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-(3-methyl-4-propan-2-ylphenoxy)butanoic acid is sourced from PubChem (CID 63040113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).