3-(2-propan-2-yloxyanilino)butanoic acid

C13H19NO3 — CID 112510100

IUPAC3-(2-propan-2-yloxyanilino)butanoic acid
SMILESCC(CC(=O)O)Nc1ccccc1OC(C)C
InChIInChI=1S/C13H19NO3/c1-9(2)17-12-7-5-4-6-11(12)14-10(3)8-13(15)16/h4-7,9-10,14H,8H2,1-3H3,(H,15,16)
InChIKeyKULAIOWHVLAUKI-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.75
Rot. Bonds6

About 3-(2-propan-2-yloxyanilino)butanoic acid

3-(2-propan-2-yloxyanilino)butanoic acid (PubChem CID 112510100) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(2-propan-2-yloxyanilino)butanoic acid.

Molecular Properties

Compound Name3-(2-propan-2-yloxyanilino)butanoic acid
PubChem CID112510100
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-(2-propan-2-yloxyanilino)butanoic acid
SMILESCC(CC(=O)O)Nc1ccccc1OC(C)C
InChIInChI=1S/C13H19NO3/c1-9(2)17-12-7-5-4-6-11(12)14-10(3)8-13(15)16/h4-7,9-10,14H,8H2,1-3H3,(H,15,16)
InChIKeyKULAIOWHVLAUKI-UHFFFAOYSA-N
XLogP2.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylpropan-2-yl)-2-propan-2-yloxyaniline
CID 115920688
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
N-(1-phenylpropyl)-2-(2-propan-2-yloxyanilino)acetamide
CID 54831184
2-(butan-2-ylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54829029
2-methyl-1-(2-propan-2-yloxyanilino)propan-2-ol
CID 39246107
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
2-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)acetamide
CID 112687005
4-[(2-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
CID 28511787
2-[2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetic acid
CID 119218421
1-amino-3-(2-propan-2-yloxyphenyl)urea
CID 82283845
4-(2-propan-2-yloxyanilino)benzoic acid
CID 82535891
1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049242

Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-yloxyanilino)butanoic acid?
The IUPAC name of 3-(2-propan-2-yloxyanilino)butanoic acid (CID 112510100) is 3-(2-propan-2-yloxyanilino)butanoic acid.
What is the SMILES notation for 3-(2-propan-2-yloxyanilino)butanoic acid?
The canonical SMILES for 3-(2-propan-2-yloxyanilino)butanoic acid is CC(CC(=O)O)Nc1ccccc1OC(C)C.
What is the InChIKey of 3-(2-propan-2-yloxyanilino)butanoic acid?
The InChIKey is KULAIOWHVLAUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(2)17-12-7-5-4-6-11(12)14-10(3)8-13(15)16/h4-7,9-10,14H,8H2,1-3H3,(H,15,16).
What are the key properties of 3-(2-propan-2-yloxyanilino)butanoic acid?
3-(2-propan-2-yloxyanilino)butanoic acid has a molecular weight of 237.30 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-yloxyanilino)butanoic acid is sourced from PubChem (CID 112510100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).