2-[(3-phenylcyclobutyl)amino]benzoic acid

C17H17NO2 — CID 43632305

IUPAC2-[(3-phenylcyclobutyl)amino]benzoic acid
SMILESO=C(O)c1ccccc1NC1CC(c2ccccc2)C1
InChIInChI=1S/C17H17NO2/c19-17(20)15-8-4-5-9-16(15)18-14-10-13(11-14)12-6-2-1-3-7-12/h1-9,13-14,18H,10-11H2,(H,19,20)
InChIKeyZXZUICIBGPXPQB-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.74
Rot. Bonds4

About 2-[(3-phenylcyclobutyl)amino]benzoic acid

2-[(3-phenylcyclobutyl)amino]benzoic acid (PubChem CID 43632305) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[(3-phenylcyclobutyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(3-phenylcyclobutyl)amino]benzoic acid
PubChem CID43632305
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-[(3-phenylcyclobutyl)amino]benzoic acid
SMILESO=C(O)c1ccccc1NC1CC(c2ccccc2)C1
InChIInChI=1S/C17H17NO2/c19-17(20)15-8-4-5-9-16(15)18-14-10-13(11-14)12-6-2-1-3-7-12/h1-9,13-14,18H,10-11H2,(H,19,20)
InChIKeyZXZUICIBGPXPQB-UHFFFAOYSA-N
XLogP3.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(3-fluorophenyl)cyclobutyl]amino]benzoic acid
CID 43635194
2-fluoro-N-(3-phenylcyclobutyl)aniline
CID 43632160
2-iodo-N-(3-phenylcyclobutyl)aniline
CID 43632290
2-methylsulfonyl-N-(3-phenylcyclobutyl)aniline
CID 43724687
N-(3-phenylcyclobutyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43632103
5-[(3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid
CID 122052048
2-methyl-N-(3-phenylcyclobutyl)propanamide
CID 166834731
2-[(4-cyclopropylbenzoyl)amino]benzoic acid
CID 126822246
2-[(3-methylcyclobutyl)carbamoylamino]benzoic acid
CID 113467363
2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzoic acid
CID 43322139
N-[2-[(3-phenylcyclobutyl)amino]ethyl]acetamide
CID 43632255
2-[(2-bromo-3-oxo-5-phenylcyclohexen-1-yl)amino]benzoic acid
CID 4550310

Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenylcyclobutyl)amino]benzoic acid?
The IUPAC name of 2-[(3-phenylcyclobutyl)amino]benzoic acid (CID 43632305) is 2-[(3-phenylcyclobutyl)amino]benzoic acid.
What is the SMILES notation for 2-[(3-phenylcyclobutyl)amino]benzoic acid?
The canonical SMILES for 2-[(3-phenylcyclobutyl)amino]benzoic acid is O=C(O)c1ccccc1NC1CC(c2ccccc2)C1.
What is the InChIKey of 2-[(3-phenylcyclobutyl)amino]benzoic acid?
The InChIKey is ZXZUICIBGPXPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-17(20)15-8-4-5-9-16(15)18-14-10-13(11-14)12-6-2-1-3-7-12/h1-9,13-14,18H,10-11H2,(H,19,20).
What are the key properties of 2-[(3-phenylcyclobutyl)amino]benzoic acid?
2-[(3-phenylcyclobutyl)amino]benzoic acid has a molecular weight of 267.33 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenylcyclobutyl)amino]benzoic acid is sourced from PubChem (CID 43632305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).