5-oxo-5-(3-propan-2-yloxyanilino)pentanoic acid

C14H19NO4 — CID 17154732

IUPAC5-oxo-5-(3-propan-2-yloxyanilino)pentanoic acid
SMILESCC(C)Oc1cccc(NC(=O)CCCC(=O)O)c1
InChIInChI=1S/C14H19NO4/c1-10(2)19-12-6-3-5-11(9-12)15-13(16)7-4-8-14(17)18/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyJMCGBPMHFUDJDV-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.67
Rot. Bonds7

About 5-oxo-5-(3-propan-2-yloxyanilino)pentanoic acid

5-oxo-5-(3-propan-2-yloxyanilino)pentanoic acid (PubChem CID 17154732) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-oxo-5-(3-propan-2-yloxyanilino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(3-propan-2-yloxyanilino)pentanoic acid
PubChem CID17154732
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name5-oxo-5-(3-propan-2-yloxyanilino)pentanoic acid
SMILESCC(C)Oc1cccc(NC(=O)CCCC(=O)O)c1
InChIInChI=1S/C14H19NO4/c1-10(2)19-12-6-3-5-11(9-12)15-13(16)7-4-8-14(17)18/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyJMCGBPMHFUDJDV-UHFFFAOYSA-N
XLogP2.67
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-propan-2-yloxyphenyl)butanamide
CID 92930679
6-(3-butan-2-yloxyanilino)-6-oxohexanoic acid
CID 62324858
6-(3-ethoxyanilino)-6-oxohexanoic acid
CID 54866810
2-phenyl-N-(3-propan-2-yloxyphenyl)acetamide
CID 6458056
2-amino-N-(3-propan-2-yloxyphenyl)acetamide
CID 39242033
5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid
CID 43420046
3-[3-[(3-propan-2-yloxyphenyl)carbamoylamino]phenyl]propanoic acid
CID 122094772
5-(2-methyl-4-propan-2-yloxyanilino)-5-oxopentanoic acid
CID 60933969
N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide
CID 54836962
5-[3-(carbamoylamino)anilino]-5-oxopentanoic acid
CID 54868224
3-(4-carboxybutanoylamino)benzoic acid
CID 735327
2-[3-[4-(propan-2-ylamino)butanoylamino]phenoxy]acetic acid
CID 63771165

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(3-propan-2-yloxyanilino)pentanoic acid?
The IUPAC name of 5-oxo-5-(3-propan-2-yloxyanilino)pentanoic acid (CID 17154732) is 5-oxo-5-(3-propan-2-yloxyanilino)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(3-propan-2-yloxyanilino)pentanoic acid?
The canonical SMILES for 5-oxo-5-(3-propan-2-yloxyanilino)pentanoic acid is CC(C)Oc1cccc(NC(=O)CCCC(=O)O)c1.
What is the InChIKey of 5-oxo-5-(3-propan-2-yloxyanilino)pentanoic acid?
The InChIKey is JMCGBPMHFUDJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(2)19-12-6-3-5-11(9-12)15-13(16)7-4-8-14(17)18/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 5-oxo-5-(3-propan-2-yloxyanilino)pentanoic acid?
5-oxo-5-(3-propan-2-yloxyanilino)pentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(3-propan-2-yloxyanilino)pentanoic acid is sourced from PubChem (CID 17154732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).