2-[2-(4-methoxyphenyl)butanoylamino]-2-methylbutanoic acid

C16H23NO4 — CID 120686275

IUPAC2-[2-(4-methoxyphenyl)butanoylamino]-2-methylbutanoic acid
SMILESCCC(C(=O)NC(C)(CC)C(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C16H23NO4/c1-5-13(11-7-9-12(21-4)10-8-11)14(18)17-16(3,6-2)15(19)20/h7-10,13H,5-6H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyBFNMYHHWVKLHSH-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.56
Rot. Bonds7

About 2-[2-(4-methoxyphenyl)butanoylamino]-2-methylbutanoic acid

2-[2-(4-methoxyphenyl)butanoylamino]-2-methylbutanoic acid (PubChem CID 120686275) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)butanoylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)butanoylamino]-2-methylbutanoic acid
PubChem CID120686275
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[2-(4-methoxyphenyl)butanoylamino]-2-methylbutanoic acid
SMILESCCC(C(=O)NC(C)(CC)C(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C16H23NO4/c1-5-13(11-7-9-12(21-4)10-8-11)14(18)17-16(3,6-2)15(19)20/h7-10,13H,5-6H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyBFNMYHHWVKLHSH-UHFFFAOYSA-N
XLogP2.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-methoxyphenyl)butanoylamino]-3-methylbutanamide
CID 119051202
2-[2-(4-methoxyphenyl)butanoylamino]-3-methylpentanoic acid
CID 120686644
N-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide
CID 43027690
cis-(1R,3S)-3-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid
CID 120690555
2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 79791741
6-[2-(4-methoxyphenyl)butanoylamino]hexanoic acid
CID 120686933
1-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid
CID 120684629
(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 93090141
2-[2-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid
CID 120686583
3-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)butanoylamino]propanoic acid
CID 120684395
2-(methoxycarbonylamino)-2-methylbutanoic acid
CID 79792133
3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoic acid
CID 10599

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)butanoylamino]-2-methylbutanoic acid?
The IUPAC name of 2-[2-(4-methoxyphenyl)butanoylamino]-2-methylbutanoic acid (CID 120686275) is 2-[2-(4-methoxyphenyl)butanoylamino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)butanoylamino]-2-methylbutanoic acid?
The canonical SMILES for 2-[2-(4-methoxyphenyl)butanoylamino]-2-methylbutanoic acid is CCC(C(=O)NC(C)(CC)C(=O)O)c1ccc(OC)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)butanoylamino]-2-methylbutanoic acid?
The InChIKey is BFNMYHHWVKLHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-5-13(11-7-9-12(21-4)10-8-11)14(18)17-16(3,6-2)15(19)20/h7-10,13H,5-6H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 2-[2-(4-methoxyphenyl)butanoylamino]-2-methylbutanoic acid?
2-[2-(4-methoxyphenyl)butanoylamino]-2-methylbutanoic acid has a molecular weight of 293.36 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-[2-(4-methoxyphenyl)butanoylamino]-2-methylbutanoic acid is sourced from PubChem (CID 120686275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).