4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzoic acid

C15H19NO3 — CID 79356507

IUPAC4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzoic acid
SMILESCC1(C)C(NC(=O)c2ccc(C(=O)O)cc2)C1(C)C
InChIInChI=1S/C15H19NO3/c1-14(2)13(15(14,3)4)16-11(17)9-5-7-10(8-6-9)12(18)19/h5-8,13H,1-4H3,(H,16,17)(H,18,19)
InChIKeyWACBTHKXALUBJT-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.55
Rot. Bonds3

About 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzoic acid

4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzoic acid (PubChem CID 79356507) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzoic acid
PubChem CID79356507
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzoic acid
SMILESCC1(C)C(NC(=O)c2ccc(C(=O)O)cc2)C1(C)C
InChIInChI=1S/C15H19NO3/c1-14(2)13(15(14,3)4)16-11(17)9-5-7-10(8-6-9)12(18)19/h5-8,13H,1-4H3,(H,16,17)(H,18,19)
InChIKeyWACBTHKXALUBJT-UHFFFAOYSA-N
XLogP2.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79350622
4-(chloromethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79358822
4-(ethylamino)-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79356898
4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzenesulfonyl chloride
CID 79363220
5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid
CID 79356602
3-amino-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79353186
N-(2,2,3,3-tetramethylcyclopropyl)-1H-indole-6-carboxamide
CID 79357254
4-[(2,2,3,3-tetramethylcyclopropyl)sulfamoylmethyl]benzoic acid
CID 79351658
cobalt;nickel;terephthalic acid
CID 175016500
4-amino-3,5-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79356989
3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoic acid
CID 102823152
terephthalic acid
CID 160582437

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzoic acid?
The IUPAC name of 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzoic acid (CID 79356507) is 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzoic acid.
What is the SMILES notation for 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzoic acid?
The canonical SMILES for 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzoic acid is CC1(C)C(NC(=O)c2ccc(C(=O)O)cc2)C1(C)C.
What is the InChIKey of 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzoic acid?
The InChIKey is WACBTHKXALUBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-14(2)13(15(14,3)4)16-11(17)9-5-7-10(8-6-9)12(18)19/h5-8,13H,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzoic acid?
4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzoic acid is sourced from PubChem (CID 79356507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).