3-[[2-(4-butylphenyl)acetyl]amino]-2-methylpropanoic acid

C16H23NO3 — CID 62674607

IUPAC3-[[2-(4-butylphenyl)acetyl]amino]-2-methylpropanoic acid
SMILESCCCCc1ccc(CC(=O)NCC(C)C(=O)O)cc1
InChIInChI=1S/C16H23NO3/c1-3-4-5-13-6-8-14(9-7-13)10-15(18)17-11-12(2)16(19)20/h6-9,12H,3-5,10-11H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyMMACVCIISWULFG-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.41
Rot. Bonds8

About 3-[[2-(4-butylphenyl)acetyl]amino]-2-methylpropanoic acid

3-[[2-(4-butylphenyl)acetyl]amino]-2-methylpropanoic acid (PubChem CID 62674607) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-[[2-(4-butylphenyl)acetyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(4-butylphenyl)acetyl]amino]-2-methylpropanoic acid
PubChem CID62674607
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-[[2-(4-butylphenyl)acetyl]amino]-2-methylpropanoic acid
SMILESCCCCc1ccc(CC(=O)NCC(C)C(=O)O)cc1
InChIInChI=1S/C16H23NO3/c1-3-4-5-13-6-8-14(9-7-13)10-15(18)17-11-12(2)16(19)20/h6-9,12H,3-5,10-11H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyMMACVCIISWULFG-UHFFFAOYSA-N
XLogP2.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-butylphenyl)-N-(2-methylpropyl)acetamide
CID 60656279
(2S)-3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoic acid
CID 107832968
2-(4-butylphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65037146
2-methyl-3-[4-(4-methylphenyl)butanoylamino]propanoic acid
CID 119236583
methyl 3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoate
CID 103879388
3-[[2-(4-butylphenyl)acetyl]amino]butanoic acid
CID 43172656
N-(3-aminobutyl)-2-(4-butylphenyl)acetamide;hydrochloride
CID 119499301
3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 81369144
2-(4-butylphenyl)-N-(2-chloroprop-2-enyl)acetamide
CID 113238577
2-(4-butylphenyl)-N-(4-hydroxybutyl)acetamide
CID 106843310
4-[(4-butylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 80537856
2-[2-[[2-(4-butylphenyl)acetyl]amino]ethylsulfanyl]acetic acid
CID 119242608

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-butylphenyl)acetyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[2-(4-butylphenyl)acetyl]amino]-2-methylpropanoic acid (CID 62674607) is 3-[[2-(4-butylphenyl)acetyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-(4-butylphenyl)acetyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-(4-butylphenyl)acetyl]amino]-2-methylpropanoic acid is CCCCc1ccc(CC(=O)NCC(C)C(=O)O)cc1.
What is the InChIKey of 3-[[2-(4-butylphenyl)acetyl]amino]-2-methylpropanoic acid?
The InChIKey is MMACVCIISWULFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-4-5-13-6-8-14(9-7-13)10-15(18)17-11-12(2)16(19)20/h6-9,12H,3-5,10-11H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 3-[[2-(4-butylphenyl)acetyl]amino]-2-methylpropanoic acid?
3-[[2-(4-butylphenyl)acetyl]amino]-2-methylpropanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-butylphenyl)acetyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62674607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).