2-(3-bromoanilino)cyclobutane-1-carboxylic acid

C11H12BrNO2 — CID 103234478

IUPAC2-(3-bromoanilino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1Nc1cccc(Br)c1
InChIInChI=1S/C11H12BrNO2/c12-7-2-1-3-8(6-7)13-10-5-4-9(10)11(14)15/h1-3,6,9-10,13H,4-5H2,(H,14,15)
InChIKeyQDHYMTJCSRETNO-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.72
Rot. Bonds3

About 2-(3-bromoanilino)cyclobutane-1-carboxylic acid

2-(3-bromoanilino)cyclobutane-1-carboxylic acid (PubChem CID 103234478) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 2-(3-bromoanilino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-bromoanilino)cyclobutane-1-carboxylic acid
PubChem CID103234478
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name2-(3-bromoanilino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1Nc1cccc(Br)c1
InChIInChI=1S/C11H12BrNO2/c12-7-2-1-3-8(6-7)13-10-5-4-9(10)11(14)15/h1-3,6,9-10,13H,4-5H2,(H,14,15)
InChIKeyQDHYMTJCSRETNO-UHFFFAOYSA-N
XLogP2.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-methylanilino)cyclobutane-1-carboxylic acid
CID 103251380
2-(2,6-dibromoanilino)cyclobutane-1-carboxylic acid
CID 107601036
2-(2,4-dibromoanilino)cyclobutane-1-carboxylic acid
CID 103247268
trans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)cyclohexane-1,2-diamine
CID 12024701
2-[4-bromo-3-(trifluoromethyl)anilino]cyclobutane-1-carboxylic acid
CID 103254014
2-(4-phenylanilino)cyclobutane-1-carboxylic acid
CID 103230394
2-(3-bromoanilino)cyclohexan-1-ol
CID 60884414
trans-(1R,2R)-2-(3-bromoanilino)cyclopentan-1-ol
CID 102733003
4-[(3-bromophenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66240934
2-(9H-fluoren-2-ylamino)cyclobutane-1-carboxylic acid
CID 103232769
3-bromo-N-(2-phenylcyclohexyl)aniline
CID 43762869
2-(3-bromoanilino)-2-cyclopropylpropanoic acid
CID 60994138

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(3-bromoanilino)cyclobutane-1-carboxylic acid (CID 103234478) is 2-(3-bromoanilino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(3-bromoanilino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(3-bromoanilino)cyclobutane-1-carboxylic acid is O=C(O)C1CCC1Nc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromoanilino)cyclobutane-1-carboxylic acid?
The InChIKey is QDHYMTJCSRETNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c12-7-2-1-3-8(6-7)13-10-5-4-9(10)11(14)15/h1-3,6,9-10,13H,4-5H2,(H,14,15).
What are the key properties of 2-(3-bromoanilino)cyclobutane-1-carboxylic acid?
2-(3-bromoanilino)cyclobutane-1-carboxylic acid has a molecular weight of 270.13 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103234478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).