1-(4-anilinophenyl)cyclobutane-1-carboxylic acid

C17H17NO2 — CID 82537404

IUPAC1-(4-anilinophenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(Nc3ccccc3)cc2)CCC1
InChIInChI=1S/C17H17NO2/c19-16(20)17(11-4-12-17)13-7-9-15(10-8-13)18-14-5-2-1-3-6-14/h1-3,5-10,18H,4,11-12H2,(H,19,20)
InChIKeyABNYXOPZCCKWFS-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.94
Rot. Bonds4

About 1-(4-anilinophenyl)cyclobutane-1-carboxylic acid

1-(4-anilinophenyl)cyclobutane-1-carboxylic acid (PubChem CID 82537404) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(4-anilinophenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-anilinophenyl)cyclobutane-1-carboxylic acid
PubChem CID82537404
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-(4-anilinophenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(Nc3ccccc3)cc2)CCC1
InChIInChI=1S/C17H17NO2/c19-16(20)17(11-4-12-17)13-7-9-15(10-8-13)18-14-5-2-1-3-6-14/h1-3,5-10,18H,4,11-12H2,(H,19,20)
InChIKeyABNYXOPZCCKWFS-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(methoxycarbonylamino)phenyl]cyclobutane-1-carboxylic acid
CID 117375603
1-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxylic acid
CID 90488138
1-(4-methylphenyl)cyclobutane-1-carboxylic acid
CID 23295038
1-pyridin-4-ylcyclobutane-1-carboxylic acid
CID 55265399
methyl 1-[4-(3-chloroanilino)phenyl]cyclobutane-1-carboxylate
CID 137463944
1-[4-(pyridin-3-ylmethylamino)phenyl]cyclobutane-1-carboxylic acid
CID 82539424
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
1-[4-[[4-tert-butyl-6-(tert-butylamino)pyrimidin-2-yl]amino]phenyl]cyclobutane-1-carboxylic acid
CID 46185252
1-[4-[[4-[[(E)-but-2-en-2-yl]amino]-6-phenylpyrimidin-2-yl]amino]phenyl]cyclobutane-1-carboxylic acid
CID 173482216
1-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 43360266
1-[4-[[4-(tert-butylamino)-6-phenylpyrimidin-2-yl]amino]phenyl]cyclopentane-1-carboxylic acid
CID 46185251
2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 43355416

Frequently Asked Questions

What is the IUPAC name of 1-(4-anilinophenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(4-anilinophenyl)cyclobutane-1-carboxylic acid (CID 82537404) is 1-(4-anilinophenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(4-anilinophenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(4-anilinophenyl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2ccc(Nc3ccccc3)cc2)CCC1.
What is the InChIKey of 1-(4-anilinophenyl)cyclobutane-1-carboxylic acid?
The InChIKey is ABNYXOPZCCKWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-16(20)17(11-4-12-17)13-7-9-15(10-8-13)18-14-5-2-1-3-6-14/h1-3,5-10,18H,4,11-12H2,(H,19,20).
What are the key properties of 1-(4-anilinophenyl)cyclobutane-1-carboxylic acid?
1-(4-anilinophenyl)cyclobutane-1-carboxylic acid has a molecular weight of 267.33 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-anilinophenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 82537404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).