3-[N-(2-methylpropanoyl)-2-propoxyanilino]propanoic acid

C16H23NO4 — CID 82320984

IUPAC3-[N-(2-methylpropanoyl)-2-propoxyanilino]propanoic acid
SMILESCCCOc1ccccc1N(CCC(=O)O)C(=O)C(C)C
InChIInChI=1S/C16H23NO4/c1-4-11-21-14-8-6-5-7-13(14)17(10-9-15(18)19)16(20)12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,18,19)
InChIKeyXAZJHZWASOTDJK-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.94
Rot. Bonds8

About 3-[N-(2-methylpropanoyl)-2-propoxyanilino]propanoic acid

3-[N-(2-methylpropanoyl)-2-propoxyanilino]propanoic acid (PubChem CID 82320984) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-[N-(2-methylpropanoyl)-2-propoxyanilino]propanoic acid.

Molecular Properties

Compound Name3-[N-(2-methylpropanoyl)-2-propoxyanilino]propanoic acid
PubChem CID82320984
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name3-[N-(2-methylpropanoyl)-2-propoxyanilino]propanoic acid
SMILESCCCOc1ccccc1N(CCC(=O)O)C(=O)C(C)C
InChIInChI=1S/C16H23NO4/c1-4-11-21-14-8-6-5-7-13(14)17(10-9-15(18)19)16(20)12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,18,19)
InChIKeyXAZJHZWASOTDJK-UHFFFAOYSA-N
XLogP2.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-chloro-N-(2-methylpropanoyl)anilino]propanoic acid
CID 28764433
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3-[N-(2-ethylbutanoyl)-2-methylanilino]propanoic acid
CID 28764123
3-[2-methyl-N-[2-(methylamino)propanoyl]anilino]propanoic acid
CID 55096511
3-methyl-2-(2-propoxyphenyl)butanoic acid
CID 104662401
3-[methyl-(8-propoxyquinolin-4-yl)amino]propanoic acid
CID 122059313
3-(2-methoxy-N-propan-2-ylanilino)propanoic acid
CID 82318620
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-2-methylpropanamide
CID 113060736
3-(N-[(2S)-2-aminobutanoyl]-2-methylanilino)propanoic acid
CID 79023548
3-[N-(2-methoxypropanoyl)anilino]propanoic acid
CID 113374728
ethyl-(2-propan-2-yloxyphenyl)carbamic acid
CID 57185215
3-(N-[methyl(pentan-2-yl)carbamoyl]anilino)propanoic acid
CID 61203469

Frequently Asked Questions

What is the IUPAC name of 3-[N-(2-methylpropanoyl)-2-propoxyanilino]propanoic acid?
The IUPAC name of 3-[N-(2-methylpropanoyl)-2-propoxyanilino]propanoic acid (CID 82320984) is 3-[N-(2-methylpropanoyl)-2-propoxyanilino]propanoic acid.
What is the SMILES notation for 3-[N-(2-methylpropanoyl)-2-propoxyanilino]propanoic acid?
The canonical SMILES for 3-[N-(2-methylpropanoyl)-2-propoxyanilino]propanoic acid is CCCOc1ccccc1N(CCC(=O)O)C(=O)C(C)C.
What is the InChIKey of 3-[N-(2-methylpropanoyl)-2-propoxyanilino]propanoic acid?
The InChIKey is XAZJHZWASOTDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-11-21-14-8-6-5-7-13(14)17(10-9-15(18)19)16(20)12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,18,19).
What are the key properties of 3-[N-(2-methylpropanoyl)-2-propoxyanilino]propanoic acid?
3-[N-(2-methylpropanoyl)-2-propoxyanilino]propanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(2-methylpropanoyl)-2-propoxyanilino]propanoic acid is sourced from PubChem (CID 82320984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).