2-(4-methoxyphenyl)-2-(2-methylpropylamino)butanoic acid

C15H23NO3 — CID 61002875

IUPAC2-(4-methoxyphenyl)-2-(2-methylpropylamino)butanoic acid
SMILESCCC(NCC(C)C)(C(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C15H23NO3/c1-5-15(14(17)18,16-10-11(2)3)12-6-8-13(19-4)9-7-12/h6-9,11,16H,5,10H2,1-4H3,(H,17,18)
InChIKeyGKWFBIYLFMFBTA-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.63
Rot. Bonds7

About 2-(4-methoxyphenyl)-2-(2-methylpropylamino)butanoic acid

2-(4-methoxyphenyl)-2-(2-methylpropylamino)butanoic acid (PubChem CID 61002875) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-(2-methylpropylamino)butanoic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-(2-methylpropylamino)butanoic acid
PubChem CID61002875
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(4-methoxyphenyl)-2-(2-methylpropylamino)butanoic acid
SMILESCCC(NCC(C)C)(C(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C15H23NO3/c1-5-15(14(17)18,16-10-11(2)3)12-6-8-13(19-4)9-7-12/h6-9,11,16H,5,10H2,1-4H3,(H,17,18)
InChIKeyGKWFBIYLFMFBTA-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-2-(2-methylpropylamino)butanoic acid
CID 54894807
2-(3-fluorophenyl)-2-(2-methylpropylamino)butanoic acid
CID 114871982
methyl 2-(4-methoxyphenyl)-2-(propylamino)butanoate
CID 54918211
methyl 2-(4-methoxyphenyl)-2-(prop-2-ynylamino)butanoate
CID 62365811
2-(4-methoxyphenyl)-2-(propylamino)propanoic acid
CID 43754043
2-fluoro-3-hydroxy-2-(4-methoxyphenyl)propanoic acid
CID 178069043
2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid
CID 79015562
2-(cyclopentylamino)-2-(4-methoxyphenyl)butanamide
CID 60998135
2-(ethylamino)-2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 43753875
2-ethyl-3-hydroxy-3-(4-methoxyphenyl)pentanoic acid
CID 62396819
2-(4-fluorophenyl)-2-(2,2,2-trifluoroethylamino)butanoic acid
CID 54892938
2-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)butanamide
CID 60991740

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-(2-methylpropylamino)butanoic acid?
The IUPAC name of 2-(4-methoxyphenyl)-2-(2-methylpropylamino)butanoic acid (CID 61002875) is 2-(4-methoxyphenyl)-2-(2-methylpropylamino)butanoic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-(2-methylpropylamino)butanoic acid?
The canonical SMILES for 2-(4-methoxyphenyl)-2-(2-methylpropylamino)butanoic acid is CCC(NCC(C)C)(C(=O)O)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-(2-methylpropylamino)butanoic acid?
The InChIKey is GKWFBIYLFMFBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-15(14(17)18,16-10-11(2)3)12-6-8-13(19-4)9-7-12/h6-9,11,16H,5,10H2,1-4H3,(H,17,18).
What are the key properties of 2-(4-methoxyphenyl)-2-(2-methylpropylamino)butanoic acid?
2-(4-methoxyphenyl)-2-(2-methylpropylamino)butanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-(2-methylpropylamino)butanoic acid is sourced from PubChem (CID 61002875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).