2-[2-(dicyclopropylmethylamino)-2-oxoethyl]benzoic acid

C16H19NO3 — CID 115923634

IUPAC2-[2-(dicyclopropylmethylamino)-2-oxoethyl]benzoic acid
SMILESO=C(Cc1ccccc1C(=O)O)NC(C1CC1)C1CC1
InChIInChI=1S/C16H19NO3/c18-14(17-15(10-5-6-10)11-7-8-11)9-12-3-1-2-4-13(12)16(19)20/h1-4,10-11,15H,5-9H2,(H,17,18)(H,19,20)
InChIKeyWKFGLSJQAMGKOS-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.23
Rot. Bonds6

About 2-[2-(dicyclopropylmethylamino)-2-oxoethyl]benzoic acid

2-[2-(dicyclopropylmethylamino)-2-oxoethyl]benzoic acid (PubChem CID 115923634) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[2-(dicyclopropylmethylamino)-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(dicyclopropylmethylamino)-2-oxoethyl]benzoic acid
PubChem CID115923634
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-[2-(dicyclopropylmethylamino)-2-oxoethyl]benzoic acid
SMILESO=C(Cc1ccccc1C(=O)O)NC(C1CC1)C1CC1
InChIInChI=1S/C16H19NO3/c18-14(17-15(10-5-6-10)11-7-8-11)9-12-3-1-2-4-13(12)16(19)20/h1-4,10-11,15H,5-9H2,(H,17,18)(H,19,20)
InChIKeyWKFGLSJQAMGKOS-UHFFFAOYSA-N
XLogP2.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(1-cyclopentylethylamino)-2-oxoethyl]benzoic acid
CID 104601586
2-(dicyclopropylmethylcarbamoylamino)benzoic acid
CID 61480864
2-[2-(dicyclopropylmethylamino)-2-oxoethyl]furan-3-carboxylic acid
CID 112749030
2-(benzhydrylamino)-N-(dicyclopropylmethyl)acetamide
CID 29458643
2-[2-[2-(cyclopropanecarbonylamino)ethylamino]-2-oxoethyl]benzoic acid
CID 115923610
N-(dicyclopropylmethyl)-3-phenylsulfanylpropanamide
CID 86918327
2-[2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]benzoic acid
CID 104601393
2-[2-[(3,4-dimethylcyclohexyl)amino]-2-oxoethyl]benzoic acid
CID 104601603
2-[2-[(1-cyclopropylcyclopropyl)methylamino]-2-oxoethyl]benzoic acid
CID 103932730
2-(3-aminophenyl)-N-(dicyclopropylmethyl)acetamide
CID 55083999
2-[[2-(dicyclopropylmethylcarbamoyl)phenyl]sulfanylmethyl]furan-3-carboxylic acid
CID 119180062
2-[[[3,5-bis[(2-carboxyphenyl)methylamino]cyclohexyl]amino]methyl]benzoic acid
CID 102081252

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dicyclopropylmethylamino)-2-oxoethyl]benzoic acid?
The IUPAC name of 2-[2-(dicyclopropylmethylamino)-2-oxoethyl]benzoic acid (CID 115923634) is 2-[2-(dicyclopropylmethylamino)-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-[2-(dicyclopropylmethylamino)-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-[2-(dicyclopropylmethylamino)-2-oxoethyl]benzoic acid is O=C(Cc1ccccc1C(=O)O)NC(C1CC1)C1CC1.
What is the InChIKey of 2-[2-(dicyclopropylmethylamino)-2-oxoethyl]benzoic acid?
The InChIKey is WKFGLSJQAMGKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-14(17-15(10-5-6-10)11-7-8-11)9-12-3-1-2-4-13(12)16(19)20/h1-4,10-11,15H,5-9H2,(H,17,18)(H,19,20).
What are the key properties of 2-[2-(dicyclopropylmethylamino)-2-oxoethyl]benzoic acid?
2-[2-(dicyclopropylmethylamino)-2-oxoethyl]benzoic acid has a molecular weight of 273.33 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dicyclopropylmethylamino)-2-oxoethyl]benzoic acid is sourced from PubChem (CID 115923634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).