2-(butan-2-ylamino)benzoic acid

C11H15NO2 — CID 19609454

IUPAC2-(butan-2-ylamino)benzoic acid
SMILESCCC(C)Nc1ccccc1C(=O)O
InChIInChI=1S/C11H15NO2/c1-3-8(2)12-10-7-5-4-6-9(10)11(13)14/h4-8,12H,3H2,1-2H3,(H,13,14)
InChIKeySQURSWNVGJILTD-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.60
Rot. Bonds4

About 2-(butan-2-ylamino)benzoic acid

2-(butan-2-ylamino)benzoic acid (PubChem CID 19609454) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(butan-2-ylamino)benzoic acid.

Molecular Properties

Compound Name2-(butan-2-ylamino)benzoic acid
PubChem CID19609454
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(butan-2-ylamino)benzoic acid
SMILESCCC(C)Nc1ccccc1C(=O)O
InChIInChI=1S/C11H15NO2/c1-3-8(2)12-10-7-5-4-6-9(10)11(13)14/h4-8,12H,3H2,1-2H3,(H,13,14)
InChIKeySQURSWNVGJILTD-UHFFFAOYSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(pentan-3-ylamino)benzoic acid
CID 43139564
2-(1-hydroxypropylamino)benzoic acid
CID 19907036
2-(hexan-3-ylamino)benzoic acid
CID 62230532
2-(1-pyrrolidin-1-ylpropan-2-ylamino)benzoic acid
CID 62232558
2-(butan-2-ylamino)benzenecarbothioamide
CID 43199919
2-(3-hydroxybutan-2-ylamino)benzoic acid
CID 131071288
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]benzoic acid
CID 79250086
5-amino-2-(butan-2-ylamino)benzoic acid
CID 60988794
2-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzoic acid
CID 62231703
2-[(3-methyl-1-phenylbutyl)amino]benzoic acid
CID 43322105
2-(butan-2-ylsulfonylamino)benzoic acid
CID 70482313
2-[1-(2-hydroxyphenyl)ethylamino]benzoic acid
CID 43322121

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)benzoic acid?
The IUPAC name of 2-(butan-2-ylamino)benzoic acid (CID 19609454) is 2-(butan-2-ylamino)benzoic acid.
What is the SMILES notation for 2-(butan-2-ylamino)benzoic acid?
The canonical SMILES for 2-(butan-2-ylamino)benzoic acid is CCC(C)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-(butan-2-ylamino)benzoic acid?
The InChIKey is SQURSWNVGJILTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-8(2)12-10-7-5-4-6-9(10)11(13)14/h4-8,12H,3H2,1-2H3,(H,13,14).
What are the key properties of 2-(butan-2-ylamino)benzoic acid?
2-(butan-2-ylamino)benzoic acid has a molecular weight of 193.25 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)benzoic acid is sourced from PubChem (CID 19609454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).