3-[(3-pyrrolidin-1-ylcyclobutyl)carbamoyl]benzoic acid

C16H20N2O3 — CID 167891040

IUPAC3-[(3-pyrrolidin-1-ylcyclobutyl)carbamoyl]benzoic acid
SMILESO=C(O)c1cccc(C(=O)NC2CC(N3CCCC3)C2)c1
InChIInChI=1S/C16H20N2O3/c19-15(11-4-3-5-12(8-11)16(20)21)17-13-9-14(10-13)18-6-1-2-7-18/h3-5,8,13-14H,1-2,6-7,9-10H2,(H,17,19)(H,20,21)
InChIKeyRAHUTVYHKCQPOC-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.74
Rot. Bonds4

About 3-[(3-pyrrolidin-1-ylcyclobutyl)carbamoyl]benzoic acid

3-[(3-pyrrolidin-1-ylcyclobutyl)carbamoyl]benzoic acid (PubChem CID 167891040) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[(3-pyrrolidin-1-ylcyclobutyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(3-pyrrolidin-1-ylcyclobutyl)carbamoyl]benzoic acid
PubChem CID167891040
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-[(3-pyrrolidin-1-ylcyclobutyl)carbamoyl]benzoic acid
SMILESO=C(O)c1cccc(C(=O)NC2CC(N3CCCC3)C2)c1
InChIInChI=1S/C16H20N2O3/c19-15(11-4-3-5-12(8-11)16(20)21)17-13-9-14(10-13)18-6-1-2-7-18/h3-5,8,13-14H,1-2,6-7,9-10H2,(H,17,19)(H,20,21)
InChIKeyRAHUTVYHKCQPOC-UHFFFAOYSA-N
XLogP1.74
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methylcyclobutyl)carbamoyl]benzoic acid
CID 115910449
3-(5-aminotetrazol-1-yl)-N-(3-piperidin-1-ylcyclobutyl)benzamide
CID 146103263
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-bromobenzamide
CID 112728997
4-hydroxy-3-(prop-2-enoylamino)-N-(3-pyrrolidin-1-ylcyclobutyl)benzamide
CID 166414273
3-(oxan-4-ylcarbamoyl)benzoic acid
CID 43610555
3-[(3,4-dimethylcyclohexyl)carbamoyl]benzoic acid
CID 64742565
3-(2-methoxyethoxy)-N-(3-morpholin-4-ylcyclobutyl)benzamide
CID 126822652
N-cycloheptyl-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051684
3-amino-N-(1-cyclopentylpiperidin-4-yl)benzamide
CID 119846678
N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide
CID 50903491
3-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65470115
3-amino-N-(1-cyclohexylpiperidin-4-yl)benzamide
CID 119895195

Frequently Asked Questions

What is the IUPAC name of 3-[(3-pyrrolidin-1-ylcyclobutyl)carbamoyl]benzoic acid?
The IUPAC name of 3-[(3-pyrrolidin-1-ylcyclobutyl)carbamoyl]benzoic acid (CID 167891040) is 3-[(3-pyrrolidin-1-ylcyclobutyl)carbamoyl]benzoic acid.
What is the SMILES notation for 3-[(3-pyrrolidin-1-ylcyclobutyl)carbamoyl]benzoic acid?
The canonical SMILES for 3-[(3-pyrrolidin-1-ylcyclobutyl)carbamoyl]benzoic acid is O=C(O)c1cccc(C(=O)NC2CC(N3CCCC3)C2)c1.
What is the InChIKey of 3-[(3-pyrrolidin-1-ylcyclobutyl)carbamoyl]benzoic acid?
The InChIKey is RAHUTVYHKCQPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(11-4-3-5-12(8-11)16(20)21)17-13-9-14(10-13)18-6-1-2-7-18/h3-5,8,13-14H,1-2,6-7,9-10H2,(H,17,19)(H,20,21).
What are the key properties of 3-[(3-pyrrolidin-1-ylcyclobutyl)carbamoyl]benzoic acid?
3-[(3-pyrrolidin-1-ylcyclobutyl)carbamoyl]benzoic acid has a molecular weight of 288.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-pyrrolidin-1-ylcyclobutyl)carbamoyl]benzoic acid is sourced from PubChem (CID 167891040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).