3-(N-(2-propan-2-yloxyacetyl)anilino)propanoic acid

C14H19NO4 — CID 112602036

IUPAC3-(N-(2-propan-2-yloxyacetyl)anilino)propanoic acid
SMILESCC(C)OCC(=O)N(CCC(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-11(2)19-10-13(16)15(9-8-14(17)18)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,17,18)
InChIKeySSIKLMAXWXRQAX-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.92
Rot. Bonds7

About 3-(N-(2-propan-2-yloxyacetyl)anilino)propanoic acid

3-(N-(2-propan-2-yloxyacetyl)anilino)propanoic acid (PubChem CID 112602036) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(N-(2-propan-2-yloxyacetyl)anilino)propanoic acid.

Molecular Properties

Compound Name3-(N-(2-propan-2-yloxyacetyl)anilino)propanoic acid
PubChem CID112602036
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-(N-(2-propan-2-yloxyacetyl)anilino)propanoic acid
SMILESCC(C)OCC(=O)N(CCC(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-11(2)19-10-13(16)15(9-8-14(17)18)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,17,18)
InChIKeySSIKLMAXWXRQAX-UHFFFAOYSA-N
XLogP1.92
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methyl-N-(2-propan-2-yloxyacetyl)anilino)propanoic acid
CID 115949224
3-[N-(2-methoxypropanoyl)anilino]propanoic acid
CID 113374728
3-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)propanoic acid
CID 62338366
3-(N-[methyl(pentan-2-yl)carbamoyl]anilino)propanoic acid
CID 61203469
3-[N-(diethylcarbamoyl)anilino]propanoic acid
CID 61186963
3-(N-octanoylanilino)propanoic acid
CID 60831115
3-[N-(2-acetamidopropanoyl)anilino]propanoic acid
CID 60830268
3-(4-fluoro-N-(2-methoxyacetyl)anilino)propanoic acid
CID 82321758
3-[4-(diethylamino)-N-(2-methoxyacetyl)anilino]propanoic acid
CID 95534693
3-(4-ethyl-N-(2-methoxyacetyl)anilino)propanoic acid
CID 82321773
3-(N-[2-(2-methoxyethylsulfanyl)acetyl]anilino)propanoic acid
CID 60832305
methyl 4-[N-[2-(N-(4-methoxy-4-oxobutanoyl)anilino)ethyl]anilino]-4-oxobutanoate
CID 2858219

Frequently Asked Questions

What is the IUPAC name of 3-(N-(2-propan-2-yloxyacetyl)anilino)propanoic acid?
The IUPAC name of 3-(N-(2-propan-2-yloxyacetyl)anilino)propanoic acid (CID 112602036) is 3-(N-(2-propan-2-yloxyacetyl)anilino)propanoic acid.
What is the SMILES notation for 3-(N-(2-propan-2-yloxyacetyl)anilino)propanoic acid?
The canonical SMILES for 3-(N-(2-propan-2-yloxyacetyl)anilino)propanoic acid is CC(C)OCC(=O)N(CCC(=O)O)c1ccccc1.
What is the InChIKey of 3-(N-(2-propan-2-yloxyacetyl)anilino)propanoic acid?
The InChIKey is SSIKLMAXWXRQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-11(2)19-10-13(16)15(9-8-14(17)18)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,17,18).
What are the key properties of 3-(N-(2-propan-2-yloxyacetyl)anilino)propanoic acid?
3-(N-(2-propan-2-yloxyacetyl)anilino)propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-(2-propan-2-yloxyacetyl)anilino)propanoic acid is sourced from PubChem (CID 112602036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).